ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate

C12H19NO3 — CID 61344415

IUPACethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CC1C=CCC1
InChIInChI=1S/C12H19NO3/c1-3-16-12(15)9(2)13-11(14)8-10-6-4-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKeyMVTUSABKEHZMPH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.41
Rot. Bonds5

About ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate

ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate (PubChem CID 61344415) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
PubChem CID61344415
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CC1C=CCC1
InChIInChI=1S/C12H19NO3/c1-3-16-12(15)9(2)13-11(14)8-10-6-4-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKeyMVTUSABKEHZMPH-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
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 ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate (CID 61344415) is ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate is CCOC(=O)C(C)NC(=O)CC1C=CCC1.
What is the InChIKey of ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate?
The InChIKey is MVTUSABKEHZMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-16-12(15)9(2)13-11(14)8-10-6-4-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate?
ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate has a molecular weight of 225.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate is sourced from PubChem (CID 61344415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).