3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid

C15H19NO2 — CID 76846716

IUPAC3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid
SMILESCC(C)c1cccc2c(C(C)CC(=O)O)c[nH]c12
InChIInChI=1S/C15H19NO2/c1-9(2)11-5-4-6-12-13(8-16-15(11)12)10(3)7-14(17)18/h4-6,8-10,16H,7H2,1-3H3,(H,17,18)
InChIKeyLNGSJZWDAAOXSL-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.87
Rot. Bonds4

About 3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid

3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid (PubChem CID 76846716) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid
PubChem CID76846716
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid
SMILESCC(C)c1cccc2c(C(C)CC(=O)O)c[nH]c12
InChIInChI=1S/C15H19NO2/c1-9(2)11-5-4-6-12-13(8-16-15(11)12)10(3)7-14(17)18/h4-6,8-10,16H,7H2,1-3H3,(H,17,18)
InChIKeyLNGSJZWDAAOXSL-UHFFFAOYSA-N
XLogP3.87
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-(7-propan-2-yl-1H-indol-3-yl)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

3-naphthalen-1-ylbutanoic acid
CID 43211329
2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid
CID 76847664
(3S)-3-(1H-indol-7-yl)butanoic acid
CID 96762196
3-(1,7-dimethylindol-3-yl)butanoic acid
CID 82278698
ethyl 4-oxo-8-propan-2-yl-1H-quinoline-3-carboxylate
CID 735355
3-(7-ethyl-1-methylindol-3-yl)butanoic acid
CID 82278699
3-(5-ethyl-1H-indol-3-yl)butanoic acid
CID 82277503
3-(7-propan-2-yl-1H-indol-3-yl)propan-1-ol
CID 76846717
7-bromo-3-propan-2-yl-1H-indole
CID 106985591
3-(2-chlorophenyl)butanoic acid
CID 54775987
7-fluoro-3-propan-2-yl-1H-indole
CID 86276645
3-(5-ethoxy-1H-indol-3-yl)butanoic acid
CID 82277509

Frequently Asked Questions

What is the IUPAC name of 3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid?
The IUPAC name of 3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid (CID 76846716) is 3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid.
What is the SMILES notation for 3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid?
The canonical SMILES for 3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid is CC(C)c1cccc2c(C(C)CC(=O)O)c[nH]c12.
What is the InChIKey of 3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid?
The InChIKey is LNGSJZWDAAOXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(2)11-5-4-6-12-13(8-16-15(11)12)10(3)7-14(17)18/h4-6,8-10,16H,7H2,1-3H3,(H,17,18).
What are the key properties of 3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid?
3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid is sourced from PubChem (CID 76846716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).