2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid

C14H13BrN2O3 — CID 175336143

IUPAC2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
SMILESO=C(c1c[nH]c2c(Br)cccc12)C1CCCN1C(=O)O
InChIInChI=1S/C14H13BrN2O3/c15-10-4-1-3-8-9(7-16-12(8)10)13(18)11-5-2-6-17(11)14(19)20/h1,3-4,7,11,16H,2,5-6H2,(H,19,20)
InChIKeyPHNYYLOHEQBZDR-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.26
Rot. Bonds2

About 2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid

2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid (PubChem CID 175336143) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
PubChem CID175336143
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
SMILESO=C(c1c[nH]c2c(Br)cccc12)C1CCCN1C(=O)O
InChIInChI=1S/C14H13BrN2O3/c15-10-4-1-3-8-9(7-16-12(8)10)13(18)11-5-2-6-17(11)14(19)20/h1,3-4,7,11,16H,2,5-6H2,(H,19,20)
InChIKeyPHNYYLOHEQBZDR-UHFFFAOYSA-N
XLogP3.26
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-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

2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 175554398
(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 138596030
(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370674
benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 54543425
[1-(2-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357641
1-(7-bromo-1H-indol-3-yl)butan-1-one
CID 175665969
(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone
CID 22967081
2-[2-(4-bromonaphthalen-1-yl)-2-oxoethoxy]carbonylpyrrolidine-1-carboxylic acid
CID 66788304
8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 56792763
8-bromo-4-oxo-1H-quinoline-3-carboxamide
CID 151043662
[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
CID 169244423
1-[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 175554389

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid (CID 175336143) is 2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid is O=C(c1c[nH]c2c(Br)cccc12)C1CCCN1C(=O)O.
What is the InChIKey of 2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
The InChIKey is PHNYYLOHEQBZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c15-10-4-1-3-8-9(7-16-12(8)10)13(18)11-5-2-6-17(11)14(19)20/h1,3-4,7,11,16H,2,5-6H2,(H,19,20).
What are the key properties of 2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid has a molecular weight of 337.17 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175336143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).