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1-(Boc-amino)cyclopropanecarboxylic acid
1-(Boc-amino)cyclopropanecarboxylic acid ID: API-30184
CAS:88950-64-5
Supplier:APIchem

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SMILES:C1CC1(C(=O)O)NC(=O)OC(C)(C)C	ChemMol.com
FORMULA: C9H15NO4
MASS: 201.2197
EXACT MASS: 201.1001080
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4000     0.0000 
   C   3    1.4000     1.4000     0.0000 
   C   4    1.9799     2.7046     1.4001     0.0000 
   O   5    2.1084     3.3519     2.4249     1.4000     0.0000 
   O   6    3.3518     3.8249     2.4249     1.4000     2.4249     0.0000 
   N   7    2.7045     1.9799     1.4000     2.4249     3.7040     2.8000 
   C   8    3.3518     2.1083     2.4248     3.7040     4.8497     4.2000 
   O   9    4.7402     3.5050     3.7040     4.8498     6.1025     5.0478 
   O  10    3.1304     1.7350     2.7999     4.2000     5.0477     5.0478 
   C  11    5.6808     4.3234     4.8499     6.1027     7.2748     6.4158 
   C  12    7.0277     5.6933     6.1028     7.2750     8.5162     7.4085 
   C  13    5.5531     4.1541     5.0479     6.4158     7.4083     7.0002 
   C  14    6.7819     5.3869     6.1028     7.4085     8.5162     7.7952 

              N   7      C   8      O   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    1.4000     0.0000 
   O   9    2.4249     1.4001     0.0000 
   O  10    2.4249     1.4000     2.4249     0.0000 
   C  11    3.7042     2.4251     1.4001     2.8002     0.0000 
   C  12    4.8501     3.7044     2.4252     4.2003     1.4001     0.0000 
   C  13    4.2002     2.8002     2.4250     2.4251     1.4000     2.4250 
   C  14    5.0481     3.7044     2.8003     3.7044     1.4001     1.4000 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.4001     0.0000 



ATOMIC CHARGES
   C   1    0.0334158328
   C   2    0.0334158328
   C   3    0.1747847011
   C   4    0.3821474186
   O   5   -0.2438273642
   O   6   -0.2438273642
   N   7   -0.1611638099
   C   8    0.4212953333
   O   9   -0.4407895391
   O  10   -0.2245548256
   C  11    0.1378772450
   C  12    0.0437421798
   C  13    0.0437421798
   C  14    0.0437421798


BOND ANGLES
   2    1    3   C3   C3   C3     59.999
   1    2    3   C3   C3   C3     59.999
   1    3    2   C3   C3   C3     60.001
   1    3    4   C3   C3  Cac     89.998
   1    3    7   C3   C3  Nam    150.001
   2    3    4   C3   C3  Cac    149.999
   2    3    7   C3   C3  Nam     90.000
   4    3    7  Cac   C3  Nam    120.001
   3    4    5   C3  Cac O.co2    120.001
   3    4    6   C3  Cac O.co2    119.999
   5    4    6 O.co2  Cac O.co2    120.001
   3    7    8   C3  Nam   C2    119.999
   7    8    9  Nam   C2   O3    120.001
   7    8   10  Nam   C2   O2    120.001
   9    8   10   O3   C2   O2    119.999
   8    9   11   C2   O3   C3    120.005
   9   11   12   O3   C3   C3    120.007
   9   11   13   O3   C3   C3    119.997
   9   11   14   O3   C3   C3    179.974
  12   11   13   C3   C3   C3    119.997
  12   11   14   C3   C3   C3     59.993
  13   11   14   C3   C3   C3     60.003


TORSION ANGLES
   3    1    2    3      0.026
   2    3    1    2      0.026
   4    3    1    2    179.974
   7    3    1    2      0.026
   1    2    3    1      0.026
   1    2    3    4      0.026
   1    2    3    7    179.974
   1    3    4    5      0.026
   1    3    4    6    179.974
   2    3    4    5      0.026
   2    3    4    6    179.974
   7    3    4    5    179.974
   7    3    4    6      0.026
   1    3    7    8      0.026
   2    3    7    8      0.026
   4    3    7    8    179.974
   3    7    8    9    179.974
   3    7    8   10      0.026
   7    8    9   11    179.974
  10    8    9   11      0.026
   8    9   11   12    179.974
   8    9   11   13      0.026
   8    9   11   14      0.026