2-(1H-indol-2-yl)butanoic acid

HCID 19085256
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(C(=O)O)c1cc2ccccc2[nH]1
InChIKey
VYPKFHFVKFKHMK-UHFFFAOYSA-N
Molecular formula
C12H13NO2
Average molar mass
203.24 g/mol
Monoisotopic mass
203.09462866

Names & identifiers

Preferred name
2-(1H-indol-2-yl)butanoic acid
IUPAC
2-(1H-indol-2-yl)butanoic acid

Names & synonyms

2-(1H-indol-2-yl)butanoic acid1511720-78-72-indolylbutyric acidSCHEMBL977577SCHEMBL29875286VYPKFHFVKFKHMK-UHFFFAOYSA-NEN300-1843933

Database identifiers

PubChem CID
19085256

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
53.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Related reactions

2 records
New reaction record

Linked notes

Loading…