butyl 2-(carbamoylamino)cyclopentene-1-carboxylate

C11H18N2O3 — CID 14205168

IUPACbutyl 2-(carbamoylamino)cyclopentene-1-carboxylate
SMILESCCCCOC(=O)C1=C(NC(N)=O)CCC1
InChIInChI=1S/C11H18N2O3/c1-2-3-7-16-10(14)8-5-4-6-9(8)13-11(12)15/h2-7H2,1H3,(H3,12,13,15)
InChIKeyPCJRXHUOVXKDIB-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.44
Rot. Bonds5

About butyl 2-(carbamoylamino)cyclopentene-1-carboxylate

butyl 2-(carbamoylamino)cyclopentene-1-carboxylate (PubChem CID 14205168) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is butyl 2-(carbamoylamino)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namebutyl 2-(carbamoylamino)cyclopentene-1-carboxylate
PubChem CID14205168
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namebutyl 2-(carbamoylamino)cyclopentene-1-carboxylate
SMILESCCCCOC(=O)C1=C(NC(N)=O)CCC1
InChIInChI=1S/C11H18N2O3/c1-2-3-7-16-10(14)8-5-4-6-9(8)13-11(12)15/h2-7H2,1H3,(H3,12,13,15)
InChIKeyPCJRXHUOVXKDIB-UHFFFAOYSA-N
XLogP1.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl 2-(carbamoylamino)cyclopentene-1-carboxylate 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

dibutyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 153407022
ethyl 2-(hexylamino)cyclohexene-1-carboxylate
CID 163974883
ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate
CID 15275325
dioctyl 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylate
CID 142708630
butyl 7-hydroxy-5,6-dimethyl-2,3-dihydro-1H-indene-4-carboxylate
CID 177152790
bis[(E)-hept-3-enyl] cyclohexene-1,2-dicarboxylate
CID 101305814
butyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 78915216
2-butoxycarbonyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 170354774
butyl 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate
CID 102069551
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
butyl 2-[2-(2-butoxy-2-oxoethyl)cyclohexen-1-yl]acetate
CID 19980675
butyl carbamate;hydrochloride
CID 88609650

Frequently Asked Questions

What is the IUPAC name of butyl 2-(carbamoylamino)cyclopentene-1-carboxylate?
The IUPAC name of butyl 2-(carbamoylamino)cyclopentene-1-carboxylate (CID 14205168) is butyl 2-(carbamoylamino)cyclopentene-1-carboxylate.
What is the SMILES notation for butyl 2-(carbamoylamino)cyclopentene-1-carboxylate?
The canonical SMILES for butyl 2-(carbamoylamino)cyclopentene-1-carboxylate is CCCCOC(=O)C1=C(NC(N)=O)CCC1.
What is the InChIKey of butyl 2-(carbamoylamino)cyclopentene-1-carboxylate?
The InChIKey is PCJRXHUOVXKDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-3-7-16-10(14)8-5-4-6-9(8)13-11(12)15/h2-7H2,1H3,(H3,12,13,15).
What are the key properties of butyl 2-(carbamoylamino)cyclopentene-1-carboxylate?
butyl 2-(carbamoylamino)cyclopentene-1-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(carbamoylamino)cyclopentene-1-carboxylate is sourced from PubChem (CID 14205168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).