2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid

C16H19NO2 — CID 117118786

IUPAC2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc2c(ccn2CC2CC2)c1
InChIInChI=1S/C16H19NO2/c1-16(2,15(18)19)13-5-6-14-12(9-13)7-8-17(14)10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyOWVCJDVLSPDMKL-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.41
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid

2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid (PubChem CID 117118786) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid
PubChem CID117118786
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc2c(ccn2CC2CC2)c1
InChIInChI=1S/C16H19NO2/c1-16(2,15(18)19)13-5-6-14-12(9-13)7-8-17(14)10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyOWVCJDVLSPDMKL-UHFFFAOYSA-N
XLogP3.41
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(1-methylindol-5-yl)propanoic acid
CID 115114970
tert-butyl 4-[(5-aminoindol-1-yl)methyl]piperidine-1-carboxylate
CID 68669120
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
tert-butyl 4-[(5-nitroindol-1-yl)methyl]piperidine-1-carboxylate
CID 68669952
1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridine-6-carboxylic acid
CID 67355433
tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate
CID 143452162
[1-(cyclobutylmethyl)indol-5-yl]methanol
CID 117118884
2-[1-(cyclopropylmethyl)indol-5-yl]ethanamine
CID 115106812
5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid
CID 159831646
5-bromo-1-(cyclobutylmethyl)indole
CID 116619741
5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid
CID 90152599
1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol
CID 115106760

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid (CID 117118786) is 2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc2c(ccn2CC2CC2)c1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid?
The InChIKey is OWVCJDVLSPDMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2,15(18)19)13-5-6-14-12(9-13)7-8-17(14)10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid?
2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 117118786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).