(2R)-2-amino-2-cyclohexylacetic acid

• ChemBase ID: 152020
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1CCC(CC1)[C@H](C(=O)O)N
• Canonical SMILES: N[C@@H](C(=O)O)C1CCCCC1
• InChI: InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m1/s1
• InChIKey: WAMWSIDTKSNDCU-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-cyclohexylacetic acid
• IUPAC Traditional name: (R)-amino(cyclohexyl)acetic acid
• Synonyms: (αR)-α-Amino-cyclohexaneacetic Acid; (R)-2-Amino-2-cyclohexylacetic Acid; D-α-Aminocyclohexaneacetic Acid; D-α-Aminocyclohexylacetic Acid; D-Cyclohexylglycine; (R)-α-Aminocyclohexylacetic acid; D-α-Cyclohexylglycine; (R)-2-AMino-2-cyclohexylacetic acid; (R)-α-氨基环己基乙酸; D-α-环己基甘氨酸

Database IDs

• CAS Number: 14328-52-0
• MDL Number: MFCD01311678
• Beilstein Number: 3196806
• PubChem SID: 162246166; 24882173
• PubChem CID: 736849

CALCULATED PROPERTIES

• Acid pKa: 2.6718812
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0834962
• LogD (pH = 7.4): -1.0856206
• Log P: -1.0832036
• Molar Refractivity: 41.4937 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO
• Apperance: Off-White Solid

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (HPLC); 96%
• Empirical Formula (Hill Notation): C8H15NO2

DETAILS

Sigma Aldrich - 61844

Packaging
5 g in poly bottle