3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid

C10H15NO3 — CID 64767262

IUPAC3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CC=CC1
InChIInChI=1S/C10H15NO3/c1-11(7-6-9(12)13)10(14)8-4-2-3-5-8/h2-3,8H,4-7H2,1H3,(H,12,13)
InChIKeyASEMVMOFRVTCFO-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.89
Rot. Bonds4

About 3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid

3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid (PubChem CID 64767262) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid
PubChem CID64767262
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CC=CC1
InChIInChI=1S/C10H15NO3/c1-11(7-6-9(12)13)10(14)8-4-2-3-5-8/h2-3,8H,4-7H2,1H3,(H,12,13)
InChIKeyASEMVMOFRVTCFO-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
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 3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid (CID 64767262) is 3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)C1CC=CC1.
What is the InChIKey of 3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid?
The InChIKey is ASEMVMOFRVTCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-11(7-6-9(12)13)10(14)8-4-2-3-5-8/h2-3,8H,4-7H2,1H3,(H,12,13).
What are the key properties of 3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid?
3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid has a molecular weight of 197.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid is sourced from PubChem (CID 64767262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).