2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid

C11H16N4O3 — CID 54982182

IUPAC2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H16N4O3/c16-10(17)4-9-2-1-3-15(9)11(18)12-5-8-6-13-14-7-8/h6-7,9H,1-5H2,(H,12,18)(H,13,14)(H,16,17)
InChIKeyFCCMULKCXJVAJY-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.56
Rot. Bonds4

About 2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid

2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid (PubChem CID 54982182) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid
PubChem CID54982182
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H16N4O3/c16-10(17)4-9-2-1-3-15(9)11(18)12-5-8-6-13-14-7-8/h6-7,9H,1-5H2,(H,12,18)(H,13,14)(H,16,17)
InChIKeyFCCMULKCXJVAJY-UHFFFAOYSA-N
XLogP0.56
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid (CID 54982182) is 2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is FCCMULKCXJVAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(17)4-9-2-1-3-15(9)11(18)12-5-8-6-13-14-7-8/h6-7,9H,1-5H2,(H,12,18)(H,13,14)(H,16,17).
What are the key properties of 2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 54982182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).