2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid

C13H14N2O4 — CID 174530956

IUPAC2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid
SMILESCC(C)NC(=O)c1c(O)n(C(=O)O)c2ccccc12
InChIInChI=1S/C13H14N2O4/c1-7(2)14-11(16)10-8-5-3-4-6-9(8)15(12(10)17)13(18)19/h3-7,17H,1-2H3,(H,14,16)(H,18,19)
InChIKeyMPKIAPDAFJCHBT-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.01
Rot. Bonds2

About 2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid

2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid (PubChem CID 174530956) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid
PubChem CID174530956
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid
SMILESCC(C)NC(=O)c1c(O)n(C(=O)O)c2ccccc12
InChIInChI=1S/C13H14N2O4/c1-7(2)14-11(16)10-8-5-3-4-6-9(8)15(12(10)17)13(18)19/h3-7,17H,1-2H3,(H,14,16)(H,18,19)
InChIKeyMPKIAPDAFJCHBT-UHFFFAOYSA-N
XLogP2.01
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-3-(propan-2-ylcarbamoyl)indole-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

3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid
CID 71740510
(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone
CID 22569367
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
CID 113204328
2,3-dimethoxyindole-1-carboxylic acid
CID 150022896
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675
CID 68891597
CID 68891597
3-methyl-2-oxo-N-propan-2-yl-1H-quinoline-4-carboxamide
CID 170238348
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441822
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
3-[3-amino-2-(2-aminopropanoylamino)-3-oxopropyl]-2-tert-butylindole-1-carboxylic acid
CID 66968423

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid?
The IUPAC name of 2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid (CID 174530956) is 2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid is CC(C)NC(=O)c1c(O)n(C(=O)O)c2ccccc12.
What is the InChIKey of 2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid?
The InChIKey is MPKIAPDAFJCHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7(2)14-11(16)10-8-5-3-4-6-9(8)15(12(10)17)13(18)19/h3-7,17H,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid?
2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(propan-2-ylcarbamoyl)indole-1-carboxylic acid is sourced from PubChem (CID 174530956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).