4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

C14H17N3O3 — CID 79216562

IUPAC4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NCCc1cccnc1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H17N3O3/c18-13(19)11-3-4-12(8-11)17-14(20)16-7-5-10-2-1-6-15-9-10/h1-4,6,9,11-12H,5,7-8H2,(H,18,19)(H2,16,17,20)
InChIKeyALFHTDMBFHOOFM-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.95
Rot. Bonds5

About 4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216562) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79216562
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NCCc1cccnc1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H17N3O3/c18-13(19)11-3-4-12(8-11)17-14(20)16-7-5-10-2-1-6-15-9-10/h1-4,6,9,11-12H,5,7-8H2,(H,18,19)(H2,16,17,20)
InChIKeyALFHTDMBFHOOFM-UHFFFAOYSA-N
XLogP0.95
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic 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

4-(2-pyridin-4-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216631
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817875
4-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79757554
4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191793
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
4-[(6-methyl-3-pyridinyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216431
3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 115161689
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea
CID 110895671
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 65266580

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79216562) is 4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is O=C(NCCc1cccnc1)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ALFHTDMBFHOOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13(19)11-3-4-12(8-11)17-14(20)16-7-5-10-2-1-6-15-9-10/h1-4,6,9,11-12H,5,7-8H2,(H,18,19)(H2,16,17,20).
What are the key properties of 4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).