2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid

C17H22N2O2 — CID 65058560

IUPAC2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid
SMILESCn1cc(CN(CC(=O)O)C2CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-18-10-13(15-8-4-5-9-16(15)18)11-19(12-17(20)21)14-6-2-3-7-14/h4-5,8-10,14H,2-3,6-7,11-12H2,1H3,(H,20,21)
InChIKeyZQOFADTYJANAII-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.01
Rot. Bonds5

About 2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid

2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid (PubChem CID 65058560) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid
PubChem CID65058560
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid
SMILESCn1cc(CN(CC(=O)O)C2CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-18-10-13(15-8-4-5-9-16(15)18)11-19(12-17(20)21)14-6-2-3-7-14/h4-5,8-10,14H,2-3,6-7,11-12H2,1H3,(H,20,21)
InChIKeyZQOFADTYJANAII-UHFFFAOYSA-N
XLogP3.01
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid (CID 65058560) is 2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid is Cn1cc(CN(CC(=O)O)C2CCCC2)c2ccccc21.
What is the InChIKey of 2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid?
The InChIKey is ZQOFADTYJANAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18-10-13(15-8-4-5-9-16(15)18)11-19(12-17(20)21)14-6-2-3-7-14/h4-5,8-10,14H,2-3,6-7,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid?
2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid has a molecular weight of 286.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 65058560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).