2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid

C16H20N2O3 — CID 143765121

IUPAC2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1cc(C(=O)NCC)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-3-7-14(16(20)21)18-10-12(15(19)17-4-2)11-8-5-6-9-13(11)18/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyKOKCKUMLZRGAHZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.82
Rot. Bonds6

About 2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid

2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid (PubChem CID 143765121) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid
PubChem CID143765121
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1cc(C(=O)NCC)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-3-7-14(16(20)21)18-10-12(15(19)17-4-2)11-8-5-6-9-13(11)18/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyKOKCKUMLZRGAHZ-UHFFFAOYSA-N
XLogP2.82
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid?
The IUPAC name of 2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid (CID 143765121) is 2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid.
What is the SMILES notation for 2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid?
The canonical SMILES for 2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid is CCCC(C(=O)O)n1cc(C(=O)NCC)c2ccccc21.
What is the InChIKey of 2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid?
The InChIKey is KOKCKUMLZRGAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-7-14(16(20)21)18-10-12(15(19)17-4-2)11-8-5-6-9-13(11)18/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid?
2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylcarbamoyl)indol-1-yl]pentanoic acid is sourced from PubChem (CID 143765121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).