3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid

C11H17NO3 — CID 60988725

IUPAC3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CC1C=CCC1
InChIInChI=1S/C11H17NO3/c1-12(7-6-11(14)15)10(13)8-9-4-2-3-5-9/h2,4,9H,3,5-8H2,1H3,(H,14,15)
InChIKeyVBLULZZNUSPGDR-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.28
Rot. Bonds5

About 3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid

3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid (PubChem CID 60988725) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid
PubChem CID60988725
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CC1C=CCC1
InChIInChI=1S/C11H17NO3/c1-12(7-6-11(14)15)10(13)8-9-4-2-3-5-9/h2,4,9H,3,5-8H2,1H3,(H,14,15)
InChIKeyVBLULZZNUSPGDR-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.28
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-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid (CID 60988725) is 3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)CC1C=CCC1.
What is the InChIKey of 3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid?
The InChIKey is VBLULZZNUSPGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12(7-6-11(14)15)10(13)8-9-4-2-3-5-9/h2,4,9H,3,5-8H2,1H3,(H,14,15).
What are the key properties of 3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid?
3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid is sourced from PubChem (CID 60988725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).