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

C11H17NO3 — CID 24698870

IUPAC4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)CC1C=CCC1
InChIInChI=1S/C11H17NO3/c13-10(8-9-4-1-2-5-9)12-7-3-6-11(14)15/h1,4,9H,2-3,5-8H2,(H,12,13)(H,14,15)
InChIKeySEXQRWVJRZFWKU-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.32
Rot. Bonds6

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

4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid (PubChem CID 24698870) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid
PubChem CID24698870
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)CC1C=CCC1
InChIInChI=1S/C11H17NO3/c13-10(8-9-4-1-2-5-9)12-7-3-6-11(14)15/h1,4,9H,2-3,5-8H2,(H,12,13)(H,14,15)
InChIKeySEXQRWVJRZFWKU-UHFFFAOYSA-N
XLogP1.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]butanoic acid?
The IUPAC name of 4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid (CID 24698870) is 4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid is O=C(O)CCCNC(=O)CC1C=CCC1.
What is the InChIKey of 4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid?
The InChIKey is SEXQRWVJRZFWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-10(8-9-4-1-2-5-9)12-7-3-6-11(14)15/h1,4,9H,2-3,5-8H2,(H,12,13)(H,14,15).
What are the key properties of 4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid?
4-[(2-cyclopent-2-en-1-ylacetyl)amino]butanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.32, 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]butanoic acid is sourced from PubChem (CID 24698870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).