5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid

C13H20N2O4 — CID 106177489

IUPAC5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCCC1=CCCC1
InChIInChI=1S/C13H20N2O4/c16-11(6-3-7-12(17)18)15-13(19)14-9-8-10-4-1-2-5-10/h4H,1-3,5-9H2,(H,17,18)(H2,14,15,16,19)
InChIKeyXUEPEUHBGJNYMA-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.57
Rot. Bonds7

About 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid

5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 106177489) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
PubChem CID106177489
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCCC1=CCCC1
InChIInChI=1S/C13H20N2O4/c16-11(6-3-7-12(17)18)15-13(19)14-9-8-10-4-1-2-5-10/h4H,1-3,5-9H2,(H,17,18)(H2,14,15,16,19)
InChIKeyXUEPEUHBGJNYMA-UHFFFAOYSA-N
XLogP1.57
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
3-chloro-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]propanamide
CID 103603928
5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid
CID 28931773
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide
CID 106178247
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 106178507
7-(cyclopenten-1-yl)heptanoic acid
CID 23035884
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
N-[2-(cyclopenten-1-yl)ethyl]prop-2-enamide
CID 107363227
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(cyclooctylamino)acetamide
CID 9265253

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid (CID 106177489) is 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(=O)NCCC1=CCCC1.
What is the InChIKey of 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is XUEPEUHBGJNYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-11(6-3-7-12(17)18)15-13(19)14-9-8-10-4-1-2-5-10/h4H,1-3,5-9H2,(H,17,18)(H2,14,15,16,19).
What are the key properties of 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 106177489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).