Molecule ID: 440979

IUPAC Name: (2S)-2-[[(1R)-1-carboxyethyl]amino]pentanoic acid

Description: The molecule is the (2S)-2-[(R)-1-carboxyethylamino] derivative of pentanoic acid. It derives from a valeric acid. It is a conjugate acid of a (2S)-2-[(R)-1-carboxyethylamino]pentanoate and a (2S)-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate.

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

SELFIES: [C][C][C][C@H1][Branch1][O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H15NO4/c1-3-4-6(8(12)13)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 86.6 Ų
- LogP: -1.6