4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid

C12H20N2O3 — CID 104685292

IUPAC4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(CCCN)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-8(3-2-6-13)11(15)14-10-5-4-9(7-10)12(16)17/h4-5,8-10H,2-3,6-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyKNRGJKGIQJOLQT-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.51
Rot. Bonds6

About 4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 104685292) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID104685292
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(CCCN)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-8(3-2-6-13)11(15)14-10-5-4-9(7-10)12(16)17/h4-5,8-10H,2-3,6-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyKNRGJKGIQJOLQT-UHFFFAOYSA-N
XLogP0.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.51
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-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 104685292) is 4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid is CC(CCCN)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is KNRGJKGIQJOLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(3-2-6-13)11(15)14-10-5-4-9(7-10)12(16)17/h4-5,8-10H,2-3,6-7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-methylpentanoyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 104685292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).