(2R)-2-acetamidopentanedioic acid

• ChemBase ID: 815834
• Molecular Formular: C7H11NO5
• Molecular Mass: 189.16594
• Monoisotopic Mass: 189.06372246
• SMILES: N([C@H](CCC(=O)O)C(=O)O)C(=O)C
• Canonical SMILES: OC(=O)CC[C@H](C(=O)O)NC(=O)C
• InChI: InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m1/s1
• InChIKey: RFMMMVDNIPUKGG-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-acetamidopentanedioic acid
• IUPAC Traditional name: (2R)-2-acetamidopentanedioic acid
• Synonyms: N-ACETYL-D-GLUTAMIC ACID

Database IDs

• CAS Number: 19146-55-5

CALCULATED PROPERTIES

• Acid pKa: 3.4320147
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -4.403821
• LogD (pH = 7.4): -7.5122256
• Log P: -1.1130154
• Molar Refractivity: 40.7315 cm^3
• Polarizability: 16.13147 Å^3
• Polar Surface Area: 103.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%