2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid

C14H15NO3 — CID 955417

IUPAC2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid
SMILESCC(C)C(=O)c1cn(CC(=O)O)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-9(2)14(18)11-7-15(8-13(16)17)12-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyLRYCYXQTQVFFNH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.56
Rot. Bonds4

About 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid

2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid (PubChem CID 955417) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid
PubChem CID955417
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid
SMILESCC(C)C(=O)c1cn(CC(=O)O)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-9(2)14(18)11-7-15(8-13(16)17)12-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyLRYCYXQTQVFFNH-UHFFFAOYSA-N
XLogP2.56
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-methylpropanoyl)indol-1-yl]acetic 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

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Xlr 11
CID 57501498
(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11584525
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
1-methoxy-1H-indole-3-carbaldehyde
CID 398554
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340
(1-((Tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11544639
L-Valine, N-((1-(5-fluoropentyl)-1H-indol-3-yl)carbonyl)-3-methyl-, methyl ester
CID 129597835

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid (CID 955417) is 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid is CC(C)C(=O)c1cn(CC(=O)O)c2ccccc12.
What is the InChIKey of 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid?
The InChIKey is LRYCYXQTQVFFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(2)14(18)11-7-15(8-13(16)17)12-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid?
2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropanoyl)indol-1-yl]acetic acid is sourced from PubChem (CID 955417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).