2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid

C13H19N3O3 — CID 54926658

IUPAC2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid
SMILESCC(C(=O)N(CC(=O)O)C1CCCC1)n1cccn1
InChIInChI=1S/C13H19N3O3/c1-10(16-8-4-7-14-16)13(19)15(9-12(17)18)11-5-2-3-6-11/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyNXXJAVVEFOWUKR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.30
Rot. Bonds5

About 2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid

2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid (PubChem CID 54926658) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid
PubChem CID54926658
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid
SMILESCC(C(=O)N(CC(=O)O)C1CCCC1)n1cccn1
InChIInChI=1S/C13H19N3O3/c1-10(16-8-4-7-14-16)13(19)15(9-12(17)18)11-5-2-3-6-11/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyNXXJAVVEFOWUKR-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid (CID 54926658) is 2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid is CC(C(=O)N(CC(=O)O)C1CCCC1)n1cccn1.
What is the InChIKey of 2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid?
The InChIKey is NXXJAVVEFOWUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(16-8-4-7-14-16)13(19)15(9-12(17)18)11-5-2-3-6-11/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid?
2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid is sourced from PubChem (CID 54926658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).