2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid

C14H18N2O3 — CID 166247442

IUPAC2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid
SMILESO=C(NC(Cc1ccccn1)C(=O)O)C1CCCC1
InChIInChI=1S/C14H18N2O3/c17-13(10-5-1-2-6-10)16-12(14(18)19)9-11-7-3-4-8-15-11/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,16,17)(H,18,19)
InChIKeySUWHFXNSBPDNCJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.38
Rot. Bonds5

About 2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid

2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid (PubChem CID 166247442) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid
PubChem CID166247442
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid
SMILESO=C(NC(Cc1ccccn1)C(=O)O)C1CCCC1
InChIInChI=1S/C14H18N2O3/c17-13(10-5-1-2-6-10)16-12(14(18)19)9-11-7-3-4-8-15-11/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,16,17)(H,18,19)
InChIKeySUWHFXNSBPDNCJ-UHFFFAOYSA-N
XLogP1.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
(2R)-2-[[(2S)-2-[[(2R)-2-(cyclohexanecarbonylamino)-4-methylpentanoyl]-methylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 45264160
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid
CID 171093339
N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 71691768
N-cyclopentyl-2-phenyl-3-pyridin-2-ylpropanamide
CID 110407019
1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 134541281
(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid (CID 166247442) is 2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid is O=C(NC(Cc1ccccn1)C(=O)O)C1CCCC1.
What is the InChIKey of 2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid?
The InChIKey is SUWHFXNSBPDNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(10-5-1-2-6-10)16-12(14(18)19)9-11-7-3-4-8-15-11/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,16,17)(H,18,19).
What are the key properties of 2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid?
2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 166247442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).