3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid

C15H17NO2 — CID 115107009

IUPAC3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid
SMILESO=C(O)CCc1cccc2c1ccn2CC1CC1
InChIInChI=1S/C15H17NO2/c17-15(18)7-6-12-2-1-3-14-13(12)8-9-16(14)10-11-4-5-11/h1-3,8-9,11H,4-7,10H2,(H,17,18)
InChIKeyHWVXFJASDOQYKK-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.07
Rot. Bonds5

About 3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid

3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid (PubChem CID 115107009) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid
PubChem CID115107009
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid
SMILESO=C(O)CCc1cccc2c1ccn2CC1CC1
InChIInChI=1S/C15H17NO2/c17-15(18)7-6-12-2-1-3-14-13(12)8-9-16(14)10-11-4-5-11/h1-3,8-9,11H,4-7,10H2,(H,17,18)
InChIKeyHWVXFJASDOQYKK-UHFFFAOYSA-N
XLogP3.07
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde
CID 115106905
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one
CID 115106908
3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid
CID 115106612
3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine
CID 115106970
1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol
CID 115106892
1-(oxan-4-ylmethyl)indole-4-carboxylic acid
CID 62385888
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
3-[3-bromo-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117481659
1-(cyclopropylmethyl)-4-phenylmethoxyindole
CID 69006016

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid (CID 115107009) is 3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid is O=C(O)CCc1cccc2c1ccn2CC1CC1.
What is the InChIKey of 3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid?
The InChIKey is HWVXFJASDOQYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15(18)7-6-12-2-1-3-14-13(12)8-9-16(14)10-11-4-5-11/h1-3,8-9,11H,4-7,10H2,(H,17,18).
What are the key properties of 3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid?
3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid is sourced from PubChem (CID 115107009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).