ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate

C15H25NO3 — CID 78978796

IUPACethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CCC1CCCC1
InChIInChI=1S/C15H25NO3/c1-3-11-16(12-15(18)19-4-2)14(17)10-9-13-7-5-6-8-13/h3,13H,1,4-12H2,2H3
InChIKeyVFMBQAPGQNRZHI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds8

About ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate

ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate (PubChem CID 78978796) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate
PubChem CID78978796
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CCC1CCCC1
InChIInChI=1S/C15H25NO3/c1-3-11-16(12-15(18)19-4-2)14(17)10-9-13-7-5-6-8-13/h3,13H,1,4-12H2,2H3
InChIKeyVFMBQAPGQNRZHI-UHFFFAOYSA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate
CID 115681468
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate
CID 78978338
ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate
CID 79506559
ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
CID 113374924
ethyl 2-[(1-methylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetate
CID 115538849
ethyl 2-[(2-cyclopentylacetyl)-propylamino]acetate
CID 54899097
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79275776
ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 115538896
ethyl 2-[but-2-ynoyl(prop-2-enyl)amino]acetate
CID 107262087
ethyl 2-[3-imidazol-1-ylpropanoyl(prop-2-enyl)amino]acetate
CID 78954883
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
CID 11265362

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate (CID 78978796) is ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)C(=O)CCC1CCCC1.
What is the InChIKey of ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate?
The InChIKey is VFMBQAPGQNRZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-11-16(12-15(18)19-4-2)14(17)10-9-13-7-5-6-8-13/h3,13H,1,4-12H2,2H3.
What are the key properties of ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate?
ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate has a molecular weight of 267.37 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 78978796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).