Molecule ID: 3081936

IUPAC Name: (2S)-2-amino-3-(7-chloro-1H-indol-3-yl)propanoic acid

Description: The molecule is an L-tryptophan derivative having a chloro substituent at the 7-position. It is a L-tryptophan derivative, a 7-chlorotryptophan and a non-proteinogenic L-alpha-amino acid. It is an enantiomer of a 7-chloro-D-tryptophan. It is a tautomer of a 7-chloro-L-tryptophan zwitterion.

SMILES: N[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(=O)O

SELFIES: [N][C@@H1][Branch2][Ring1][C][C][C][=C][NH1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 79.1 Ų
- LogP: -0.4