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

C11H18N2O3 — CID 79216867

IUPAC4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCCCCNC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H18N2O3/c1-2-3-6-12-11(16)13-9-5-4-8(7-9)10(14)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyUFNRIRMVEUQDFP-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.12
Rot. Bonds5

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

4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216867) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79216867
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCCCCNC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H18N2O3/c1-2-3-6-12-11(16)13-9-5-4-8(7-9)10(14)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyUFNRIRMVEUQDFP-UHFFFAOYSA-N
XLogP1.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(pentylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216817
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216090
4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79215980
4-(2-cyclopentylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216844
4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191671
4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 106279258
1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630279
4-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79757554
4-(2-aminohexanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209796
4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191793
1-butyl-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 43828062

Frequently Asked Questions

What is the IUPAC name of 4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79216867) is 4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is CCCCNC(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is UFNRIRMVEUQDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-3-6-12-11(16)13-9-5-4-8(7-9)10(14)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).