3-(1-cyclopropylindol-5-yl)propanoic acid

C14H15NO2 — CID 155919864

IUPAC3-(1-cyclopropylindol-5-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(ccn2C2CC2)c1
InChIInChI=1S/C14H15NO2/c16-14(17)6-2-10-1-5-13-11(9-10)7-8-15(13)12-3-4-12/h1,5,7-9,12H,2-4,6H2,(H,16,17)
InChIKeyYJXFJTQYXDHKHQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.99
Rot. Bonds4

About 3-(1-cyclopropylindol-5-yl)propanoic acid

3-(1-cyclopropylindol-5-yl)propanoic acid (PubChem CID 155919864) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(1-cyclopropylindol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-cyclopropylindol-5-yl)propanoic acid
PubChem CID155919864
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(1-cyclopropylindol-5-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(ccn2C2CC2)c1
InChIInChI=1S/C14H15NO2/c16-14(17)6-2-10-1-5-13-11(9-10)7-8-15(13)12-3-4-12/h1,5,7-9,12H,2-4,6H2,(H,16,17)
InChIKeyYJXFJTQYXDHKHQ-UHFFFAOYSA-N
XLogP2.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-cyclopropylindol-5-yl)propanoic 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-(1-cyclohexylindol-6-yl)propanoic acid
CID 117118637
3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid
CID 174406031
1-cyclobutylindole-5-carboxylic acid
CID 115115226
3-(1-hexylindol-5-yl)propanoic acid
CID 20770765
2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide
CID 70383161
1-(1-cyclopentylindol-5-yl)-2-methylpropan-2-ol
CID 115115482
1-(1-cyclopentylindol-5-yl)ethanone
CID 115115492
methyl 5-chloro-2-[(1-cyclopropylindol-5-yl)methyl]benzoate
CID 161355988
1-(1-cyclohexylindol-5-yl)propan-2-amine
CID 117118608
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
3-(1-benzylindol-6-yl)propanoic acid
CID 54376010
3-[1-(2-methylpropyl)indol-6-yl]propanoic acid
CID 115106738

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylindol-5-yl)propanoic acid?
The IUPAC name of 3-(1-cyclopropylindol-5-yl)propanoic acid (CID 155919864) is 3-(1-cyclopropylindol-5-yl)propanoic acid.
What is the SMILES notation for 3-(1-cyclopropylindol-5-yl)propanoic acid?
The canonical SMILES for 3-(1-cyclopropylindol-5-yl)propanoic acid is O=C(O)CCc1ccc2c(ccn2C2CC2)c1.
What is the InChIKey of 3-(1-cyclopropylindol-5-yl)propanoic acid?
The InChIKey is YJXFJTQYXDHKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14(17)6-2-10-1-5-13-11(9-10)7-8-15(13)12-3-4-12/h1,5,7-9,12H,2-4,6H2,(H,16,17).
What are the key properties of 3-(1-cyclopropylindol-5-yl)propanoic acid?
3-(1-cyclopropylindol-5-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylindol-5-yl)propanoic acid is sourced from PubChem (CID 155919864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).