4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

C9H14N2O3 — CID 79216361

IUPAC4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCCNC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C9H14N2O3/c1-2-10-9(14)11-7-4-3-6(5-7)8(12)13/h3-4,6-7H,2,5H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyHTQQMVXBLCCLLH-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.33
Rot. Bonds3

About 4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216361) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79216361
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCCNC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C9H14N2O3/c1-2-10-9(14)11-7-4-3-6(5-7)8(12)13/h3-4,6-7H,2,5H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyHTQQMVXBLCCLLH-UHFFFAOYSA-N
XLogP0.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(ethylcarbamoylamino)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-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216867
4-(pentylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216817
4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191671
4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216090
4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 106279258
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 106279455
4-(2-cyclopentylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216844
4-[(3-ethoxycyclobutyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 114120236
4-(oxan-4-ylmethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79210811
4-(pentanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209353
4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79191668
4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79215980

Frequently Asked Questions

What is the IUPAC name of 4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79216361) is 4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is CCNC(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is HTQQMVXBLCCLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-2-10-9(14)11-7-4-3-6(5-7)8(12)13/h3-4,6-7H,2,5H2,1H3,(H,12,13)(H2,10,11,14).
What are the key properties of 4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).