(1S,2R)-2-aminocyclohexane-1-carboxamide

• ChemBase ID: 308517
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: [C@@H]1(C(=O)N)[C@H](N)CCCC1
• Canonical SMILES: N[C@@H]1CCCC[C@@H]1C(=O)N
• InChI: InChI=1S/C7H14N2O/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H2,9,10)/t5-,6+/m0/s1
• InChIKey: DXNKJRKPVQVDJW-NTSWFWBYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R)-2-aminocyclohexane-1-carboxamide
• IUPAC Traditional name: (1S,2R)-2-aminocyclohexane-1-carboxamide
• Synonyms: cis-2-aminocyclohexanecarboxamide

Database IDs

• CAS Number: 115014-77-2
• MDL Number: MFCD00143979

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2325113
• LogD (pH = 7.4): -2.2217443
• Log P: -0.25447896
• Molar Refractivity: 38.8411 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 69.11 Å^2