3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid

C14H22N2O3 — CID 106178497

IUPAC3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(C(=O)NCCC1=CCCC1)C1CC1
InChIInChI=1S/C14H22N2O3/c17-13(18)8-10-16(12-5-6-12)14(19)15-9-7-11-3-1-2-4-11/h3,12H,1-2,4-10H2,(H,15,19)(H,17,18)
InChIKeyLFRWAVHIKYGZDG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.14
Rot. Bonds7

About 3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid

3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid (PubChem CID 106178497) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid
PubChem CID106178497
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(C(=O)NCCC1=CCCC1)C1CC1
InChIInChI=1S/C14H22N2O3/c17-13(18)8-10-16(12-5-6-12)14(19)15-9-7-11-3-1-2-4-11/h3,12H,1-2,4-10H2,(H,15,19)(H,17,18)
InChIKeyLFRWAVHIKYGZDG-UHFFFAOYSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic 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

3-[[2-(cyclohexen-1-yl)acetyl]-cyclopropylamino]propanoic acid
CID 63564407
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
3-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 106038213
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106177489
3-[1-[2-(cyclopenten-1-yl)ethylcarbamoyl]pyrrolidin-3-yl]propanoic acid
CID 106178480
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-cyclopropylpropanoic acid
CID 114154454
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068
3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106420257
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
N-[2-(cyclopenten-1-yl)ethyl]prop-2-enamide
CID 107363227
N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137374

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid (CID 106178497) is 3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid is O=C(O)CCN(C(=O)NCCC1=CCCC1)C1CC1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid?
The InChIKey is LFRWAVHIKYGZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-13(18)8-10-16(12-5-6-12)14(19)15-9-7-11-3-1-2-4-11/h3,12H,1-2,4-10H2,(H,15,19)(H,17,18).
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid?
3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylcarbamoyl-cyclopropylamino]propanoic acid is sourced from PubChem (CID 106178497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).