3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid

C14H18N2O3 — CID 115219921

IUPAC3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
SMILESCC(CNCc1ccc2c(c1)CC(=O)N2)CC(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(4-14(18)19)7-15-8-10-2-3-12-11(5-10)6-13(17)16-12/h2-3,5,9,15H,4,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyRGWDDLJHGVPKFV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.38
Rot. Bonds6

About 3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid

3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid (PubChem CID 115219921) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
PubChem CID115219921
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
SMILESCC(CNCc1ccc2c(c1)CC(=O)N2)CC(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(4-14(18)19)7-15-8-10-2-3-12-11(5-10)6-13(17)16-12/h2-3,5,9,15H,4,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyRGWDDLJHGVPKFV-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]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

4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 82351123
2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 115136555
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158229
4-[(4-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 115219892
2-(2-oxo-1,3-dihydroindol-5-yl)-N-(1-phenylethyl)acetamide
CID 110768091
3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710806
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid?
The IUPAC name of 3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid (CID 115219921) is 3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid is CC(CNCc1ccc2c(c1)CC(=O)N2)CC(=O)O.
What is the InChIKey of 3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid?
The InChIKey is RGWDDLJHGVPKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(4-14(18)19)7-15-8-10-2-3-12-11(5-10)6-13(17)16-12/h2-3,5,9,15H,4,6-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid?
3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.38, 6 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-dihydroindol-5-yl)methylamino]butanoic acid is sourced from PubChem (CID 115219921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).