3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid

C14H16N2O4 — CID 102710806

IUPAC3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
SMILESCC(CNC(=O)c1ccc2c(c1)NC(=O)C2)CC(=O)O
InChIInChI=1S/C14H16N2O4/c1-8(4-13(18)19)7-15-14(20)10-3-2-9-6-12(17)16-11(9)5-10/h2-3,5,8H,4,6-7H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyCXBVSKWDXRTDPA-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.02
Rot. Bonds5

About 3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid

3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid (PubChem CID 102710806) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
PubChem CID102710806
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
SMILESCC(CNC(=O)c1ccc2c(c1)NC(=O)C2)CC(=O)O
InChIInChI=1S/C14H16N2O4/c1-8(4-13(18)19)7-15-14(20)10-3-2-9-6-12(17)16-11(9)5-10/h2-3,5,8H,4,6-7H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyCXBVSKWDXRTDPA-UHFFFAOYSA-N
XLogP1.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic 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-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 103152957
N-[2-[cyclopropyl(methyl)amino]propyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737380
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712371
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710687
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710593
2-oxo-N-(3-propan-2-yloxypropyl)-1,3-dihydroindole-6-carboxamide
CID 102712158
(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710671
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711809

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid (CID 102710806) is 3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid is CC(CNC(=O)c1ccc2c(c1)NC(=O)C2)CC(=O)O.
What is the InChIKey of 3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The InChIKey is CXBVSKWDXRTDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(4-13(18)19)7-15-14(20)10-3-2-9-6-12(17)16-11(9)5-10/h2-3,5,8H,4,6-7H2,1H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 102710806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).