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

C15H17NO2 — CID 63937608

IUPAC3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
SMILESO=C(O)CCc1cn(CC2CC2)c2ccccc12
InChIInChI=1S/C15H17NO2/c17-15(18)8-7-12-10-16(9-11-5-6-11)14-4-2-1-3-13(12)14/h1-4,10-11H,5-9H2,(H,17,18)
InChIKeyCHJBTOUYARFRDV-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.07
Rot. Bonds5

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

3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid (PubChem CID 63937608) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
PubChem CID63937608
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
SMILESO=C(O)CCc1cn(CC2CC2)c2ccccc12
InChIInChI=1S/C15H17NO2/c17-15(18)8-7-12-10-16(9-11-5-6-11)14-4-2-1-3-13(12)14/h1-4,10-11H,5-9H2,(H,17,18)
InChIKeyCHJBTOUYARFRDV-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

4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314
3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid
CID 115107009
1-(4-aminocyclohexyl)-4-[1-(cyclohexylmethyl)indol-3-yl]butan-2-one;hydrochloride
CID 162116795
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264
3-[1-(3-hydroxy-3-methylbutyl)indol-3-yl]propanoic acid
CID 79354758
1-[1-(cyclohexylmethyl)indol-3-yl]-6-piperidin-4-ylhexan-3-one;hydrochloride
CID 162111790
3-[1-[2-(carbamoylamino)-2-oxoethyl]indol-3-yl]propanoic acid
CID 28600029
3-[1-(3-cyanopropyl)indol-3-yl]propanoic acid
CID 28600015
2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide
CID 67239924
3-[1-[(3-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 43825874
3-[3-[1-(3-piperidin-1-ium-4-ylpropyl)indol-3-yl]propanoylamino]propanoic acid chloride
CID 11091119

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid?
The IUPAC name of 3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid (CID 63937608) is 3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid is O=C(O)CCc1cn(CC2CC2)c2ccccc12.
What is the InChIKey of 3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid?
The InChIKey is CHJBTOUYARFRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15(18)8-7-12-10-16(9-11-5-6-11)14-4-2-1-3-13(12)14/h1-4,10-11H,5-9H2,(H,17,18).
What are the key properties of 3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid?
3-[1-(cyclopropylmethyl)indol-3-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-3-yl]propanoic acid is sourced from PubChem (CID 63937608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).