ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate

C13H22N2O3 — CID 113331353

IUPACethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)NC1CCCC1
InChIInChI=1S/C13H22N2O3/c1-3-9-15(10-12(16)18-4-2)13(17)14-11-7-5-6-8-11/h3,11H,1,4-10H2,2H3,(H,14,17)
InChIKeyXBASHMMDTJKGPR-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.69
Rot. Bonds6

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

ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate (PubChem CID 113331353) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
PubChem CID113331353
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)NC1CCCC1
InChIInChI=1S/C13H22N2O3/c1-3-9-15(10-12(16)18-4-2)13(17)14-11-7-5-6-8-11/h3,11H,1,4-10H2,2H3,(H,14,17)
InChIKeyXBASHMMDTJKGPR-UHFFFAOYSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716
ethyl 2-[cyclopropylcarbamoyl(ethyl)amino]acetate
CID 62700813
ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate
CID 115681468
ethyl 2-[cyclohexylcarbamoyl(2-methoxyethyl)amino]acetate
CID 115585865
ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate
CID 78978796
ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate
CID 79506559
3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 115642253
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66033021
ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78925035
ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
CID 62698175
2-[(4-hydroxycyclohexyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276890
2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
CID 84572779

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate (CID 113331353) is ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)C(=O)NC1CCCC1.
What is the InChIKey of ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate?
The InChIKey is XBASHMMDTJKGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-9-15(10-12(16)18-4-2)13(17)14-11-7-5-6-8-11/h3,11H,1,4-10H2,2H3,(H,14,17).
What are the key properties of ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate?
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate has a molecular weight of 254.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 113331353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).