Molecule ID: 21145064

IUPAC Name: (3S)-3-(1H-indol-3-yl)-2-oxobutanoate

Description: The molecule is the conjugate base of (S)-3-(indol-3-yl)-2-oxobutyric acid. It is a conjugate base of a (S)-3-(indol-3-yl)-2-oxobutyric acid. It is an enantiomer of a (R)-3-(indol-3-yl)-2-oxobutyrate.

SMILES: C[C@H](C(=O)C(=O)[O-])c1c[nH]c2ccccc12

SELFIES: [C][C@H1][Branch1][#Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3,(H,15,16)/p-1/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 73.0 Ų
- LogP: 2.8