2-(4-aminopiperidin-1-yl)acetic acid

• ChemBase ID: 25050
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: N1(CC(=O)O)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CC(=O)O
• InChI: InChI=1S/C7H14N2O2/c8-6-1-3-9(4-2-6)5-7(10)11/h6H,1-5,8H2,(H,10,11)
• InChIKey: FCQHYITXTSIWDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)acetic acid
• IUPAC Traditional name: (4-aminopiperidin-1-yl)acetic acid
• Synonyms: (4-amino-1-piperidinyl)acetic acid; (4-Aminopiperidin-1-yl)acetic acid

Database IDs

• CAS Number: 805179-70-8
• MDL Number: MFCD08848201
• PubChem SID: 160988357
• PubChem CID: 16765334

CALCULATED PROPERTIES

• Acid pKa: 1.8802444
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -6.3876762
• LogD (pH = 7.4): -4.686544
• Log P: -3.598207
• Molar Refractivity: 41.4545 cm^3
• Polarizability: 16.48107 Å^3
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false