4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid

C15H20N2O3 — CID 82350735

IUPAC4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid
SMILESCNC(CC(=O)O)Cc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H20N2O3/c1-10(18)17-6-5-12-7-11(3-4-14(12)17)8-13(16-2)9-15(19)20/h3-4,7,13,16H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyIWGUDOPTUVWZNJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.20
Rot. Bonds5

About 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid

4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid (PubChem CID 82350735) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid
PubChem CID82350735
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid
SMILESCNC(CC(=O)O)Cc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H20N2O3/c1-10(18)17-6-5-12-7-11(3-4-14(12)17)8-13(16-2)9-15(19)20/h3-4,7,13,16H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyIWGUDOPTUVWZNJ-UHFFFAOYSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(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-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348568
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-chlorobutanoate
CID 82352066
4-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]-3-methylbutanoic acid
CID 110447520
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone
CID 82262438
1-[5-[2-(cyclopentylamino)propyl]-2,3-dihydroindol-1-yl]ethanone
CID 82262657
1-[6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262503
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
1-[6-(2-bromo-3-methylbutyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82255035
1-[5-(2-bromobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259297
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid?
The IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid (CID 82350735) is 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid.
What is the SMILES notation for 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid?
The canonical SMILES for 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid is CNC(CC(=O)O)Cc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid?
The InChIKey is IWGUDOPTUVWZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(18)17-6-5-12-7-11(3-4-14(12)17)8-13(16-2)9-15(19)20/h3-4,7,13,16H,5-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid?
4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid is sourced from PubChem (CID 82350735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).