(4R)-4-amino-4-carbamoylbutanoic acid

• ChemBase ID: 287175
• Molecular Formular: C5H10N2O3
• Molecular Mass: 146.1445
• Monoisotopic Mass: 146.06914219
• SMILES: O=C(O)CC[C@@H](N)C(=O)N
• Canonical SMILES: OC(=O)CC[C@H](C(=O)N)N
• InChI: InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1
• InChIKey: AEFLONBTGZFSGQ-GSVOUGTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-4-amino-4-carbamoylbutanoic acid
• IUPAC Traditional name: (4R)-4-amino-4-carbamoylbutanoic acid
• Synonyms: (R)-4,5-Diamino-5-oxopentanoic acid

Database IDs

• CAS Number: 19522-40-8
• PubChem SID: 180672706
• PubChem CID: 5288447

CALCULATED PROPERTIES

• Acid pKa: 4.059254
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.011305
• LogD (pH = 7.4): -4.0326767
• Log P: -4.003575
• Molar Refractivity: 33.1099 cm^3
• Polarizability: 13.317601 Å^3
• Polar Surface Area: 106.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%