02K
Summary
Name: | 1-aminocyclohexanecarboxylic acid |
Formula: | C7 H13 N O2 |
Formal charge: | 0 |
Formula weight: | 143.184 Da |
Component type: | PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-aminocyclohexanecarboxylic acid |
OpenEye OEToolkits | 1.7.2 | 1-azanylcyclohexane-1-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1(N)CCCCC1 |
InChI | InChI | 1.03 | InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10) |
InChIKey | InChI | 1.03 | WOXWUZCRWJWTRT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC1(CCCCC1)C(O)=O |
SMILES | CACTVS | 3.370 | NC1(CCCCC1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1CCC(CC1)(C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.2 | C1CCC(CC1)(C(=O)O)N |