2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid

C15H18N2O2 — CID 115146311

IUPAC2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid
SMILESCN(c1[nH]c2ccccc2c1C(=O)O)C1CCCC1
InChIInChI=1S/C15H18N2O2/c1-17(10-6-2-3-7-10)14-13(15(18)19)11-8-4-5-9-12(11)16-14/h4-5,8-10,16H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyIHVRXUNZINIHSL-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.24
Rot. Bonds3

About 2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid

2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid (PubChem CID 115146311) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid
PubChem CID115146311
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid
SMILESCN(c1[nH]c2ccccc2c1C(=O)O)C1CCCC1
InChIInChI=1S/C15H18N2O2/c1-17(10-6-2-3-7-10)14-13(15(18)19)11-8-4-5-9-12(11)16-14/h4-5,8-10,16H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyIHVRXUNZINIHSL-UHFFFAOYSA-N
XLogP3.24
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid
CID 115146312
2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
CID 43267297
2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid
CID 115146320
1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid
CID 106766543
2-propan-2-yl-1H-indole-3-carboxylic acid
CID 84671443
2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
CID 43614200
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406915
2-amino-3-[cyclohexyl(methyl)amino]benzoic acid
CID 113332437
N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 55626329
2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid
CID 70048755
N-cyclohexyl-N-(oxetan-3-ylmethyl)aniline;2-methyl-1H-indole-3-carboxamide
CID 164539872

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid (CID 115146311) is 2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid is CN(c1[nH]c2ccccc2c1C(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid?
The InChIKey is IHVRXUNZINIHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(10-6-2-3-7-10)14-13(15(18)19)11-8-4-5-9-12(11)16-14/h4-5,8-10,16H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid?
2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 115146311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).