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

Related Compounds

N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
2-(2-oxo-1-pyridinyl)pentanoic acid
CID 82032055
(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695225
1-propyl-N-(2-sulfamoylethyl)indole-3-carboxamide
CID 51102367
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone
CID 170857303
1-nonan-3-ylindole-3-carboxylic acid;hydrochloride
CID 90033289
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
1-acetyl-N-pentylindole-3-carboxamide
CID 113207899
2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide
CID 56754059

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).