2-amino-2-methylpentanedioic acid

• ChemBase ID: 102184
• Molecular Formular: C6H11NO4
• Molecular Mass: 161.15584
• Monoisotopic Mass: 161.06880784
• SMILES: CC(N)(CCC(=O)O)C(=O)O
• Canonical SMILES: OC(=O)CCC(C(=O)O)(N)C
• InChI: InChI=1S/C6H11NO4/c1-6(7,5(10)11)3-2-4(8)9/h2-3,7H2,1H3,(H,8,9)(H,10,11)
• InChIKey: QHSCIWIRXWFIGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methylpentanedioic acid
• IUPAC Traditional name: 2-amino-2-methylpentanedioic acid
• Synonyms: 2-AMINO-2-METHYLGLUTARIC ACID; DL-α-Methylglutamic acid; DL-2-Methylglutamic acid; α-METHYL-DL-GLUTAMIC ACID

Database IDs

• CAS Number: 71-90-9
• PubChem SID: 162089976
• PubChem CID: 95440

CALCULATED PROPERTIES

• Acid pKa: 1.9794128
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -3.9001086
• LogD (pH = 7.4): -5.657056
• Log P: -2.8099189
• Molar Refractivity: 36.001 cm^3
• Polarizability: 14.494345 Å^3
• Polar Surface Area: 100.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05203487

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02100497

Purity: 99%
Crystalline
Hydrate