4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid

C13H21NO3 — CID 62043930

IUPAC4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CC1C=CCC1
InChIInChI=1S/C13H21NO3/c1-13(2,8-7-12(16)17)14-11(15)9-10-5-3-4-6-10/h3,5,10H,4,6-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVFBUVCFWDIQZBZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.10
Rot. Bonds6

About 4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid

4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid (PubChem CID 62043930) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
PubChem CID62043930
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CC1C=CCC1
InChIInChI=1S/C13H21NO3/c1-13(2,8-7-12(16)17)14-11(15)9-10-5-3-4-6-10/h3,5,10H,4,6-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVFBUVCFWDIQZBZ-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid (CID 62043930) is 4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)CC1C=CCC1.
What is the InChIKey of 4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid?
The InChIKey is VFBUVCFWDIQZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,8-7-12(16)17)14-11(15)9-10-5-3-4-6-10/h3,5,10H,4,6-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid?
4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid has a molecular weight of 239.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62043930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).