2-(2-aminoacetamido)pentanoic acid

• ChemBase ID: 183422
• Molecular Formular: C7H14N2O3
• Molecular Mass: 174.19766
• Monoisotopic Mass: 174.10044232
• SMILES: C(=O)(C(NC(=O)CN)CCC)O
• Canonical SMILES: CCCC(C(=O)O)NC(=O)CN
• InChI: InChI=1S/C7H14N2O3/c1-2-3-5(7(11)12)9-6(10)4-8/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
• InChIKey: JXIQKLAZYWZTRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoacetamido)pentanoic acid
• IUPAC Traditional name: 2-(2-aminoacetamido)pentanoic acid

Database IDs

• PubChem SID: 164239332
• PubChem CID: 86841

CALCULATED PROPERTIES

• Acid pKa: 3.8153954
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.984049
• LogD (pH = 7.4): -3.0442753
• Log P: -2.9810498
• Molar Refractivity: 42.4258 cm^3
• Polarizability: 16.951561 Å^3
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds