2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid

C14H18N2O3 — CID 60826593

IUPAC2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1ccncc1)C1CCCC1
InChIInChI=1S/C14H18N2O3/c17-13(9-11-5-7-15-8-6-11)16(10-14(18)19)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,18,19)
InChIKeyUTWIYNLQUMHTDF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.48
Rot. Bonds5

About 2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid

2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid (PubChem CID 60826593) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid
PubChem CID60826593
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1ccncc1)C1CCCC1
InChIInChI=1S/C14H18N2O3/c17-13(9-11-5-7-15-8-6-11)16(10-14(18)19)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,18,19)
InChIKeyUTWIYNLQUMHTDF-UHFFFAOYSA-N
XLogP1.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]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-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid (CID 60826593) is 2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid is O=C(O)CN(C(=O)Cc1ccncc1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid?
The InChIKey is UTWIYNLQUMHTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(9-11-5-7-15-8-6-11)16(10-14(18)19)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,18,19).
What are the key properties of 2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid?
2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid is sourced from PubChem (CID 60826593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).