1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid

C14H16N2O3 — CID 61157412

IUPAC1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H16N2O3/c17-13(11-2-1-6-15-11)16-7-5-9-8-10(14(18)19)3-4-12(9)16/h3-4,8,11,15H,1-2,5-7H2,(H,18,19)/t11-/m0/s1
InChIKeyWRDOXULVZDXMIO-NSHDSACASA-N
MW260.29 g/mol
LogP1.03
Rot. Bonds2

About 1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid

1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid (PubChem CID 61157412) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
PubChem CID61157412
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H16N2O3/c17-13(11-2-1-6-15-11)16-7-5-9-8-10(14(18)19)3-4-12(9)16/h3-4,8,11,15H,1-2,5-7H2,(H,18,19)/t11-/m0/s1
InChIKeyWRDOXULVZDXMIO-NSHDSACASA-N
XLogP1.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157415
(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119280340
(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 113235710
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone
CID 119324720
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
(4-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 174895867
1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82340965
1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61209571
1-[1-(1,3-thiazolidine-4-carbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 110746136
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-[(2S)-piperidine-2-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 104913606

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid (CID 61157412) is 1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1.
What is the InChIKey of 1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is WRDOXULVZDXMIO-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(11-2-1-6-15-11)16-7-5-9-8-10(14(18)19)3-4-12(9)16/h3-4,8,11,15H,1-2,5-7H2,(H,18,19)/t11-/m0/s1.
What are the key properties of 1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid?
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 61157412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).