4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid

C12H20N2O3 — CID 79208286

IUPAC4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)C1C=CC(N)C1
InChIInChI=1S/C12H20N2O3/c1-12(2,6-5-10(15)16)14-11(17)8-3-4-9(13)7-8/h3-4,8-9H,5-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyGXLDAHSFGWZJQR-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.65
Rot. Bonds5

About 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid

4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 79208286) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID79208286
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)C1C=CC(N)C1
InChIInChI=1S/C12H20N2O3/c1-12(2,6-5-10(15)16)14-11(17)8-3-4-9(13)7-8/h3-4,8-9H,5-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyGXLDAHSFGWZJQR-UHFFFAOYSA-N
XLogP0.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid (CID 79208286) is 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is GXLDAHSFGWZJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2,6-5-10(15)16)14-11(17)8-3-4-9(13)7-8/h3-4,8-9H,5-7,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid?
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 240.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 79208286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).