Molecule ID: 36691075

IUPAC Name: (2R)-2-acetamido-5-amino-5-oxopentanoate

Description: The molecule is the conjugate base of N(2)-acetyl-D-glutamine; major species at pH 7.3. It is a conjugate base of a N(2)-acetyl-D-glutamine. It is an enantiomer of a N-acetyl-L-glutaminate.

SMILES: CC([O-])=N[C@H](CCC(=N)O)C(=O)O

SELFIES: [C][C][Branch1][C][O-1][=N][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=N][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/p-1/t5-/m1/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -0.8