ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate

C9H16N2O3 — CID 10104245

IUPACethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate
SMILESC=CCNC(=O)N(C)CC(=O)OCC
InChIInChI=1S/C9H16N2O3/c1-4-6-10-9(13)11(3)7-8(12)14-5-2/h4H,1,5-7H2,2-3H3,(H,10,13)
InChIKeyGBYPCGIYRHMPHY-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.38
Rot. Bonds5

About ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate

ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate (PubChem CID 10104245) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate
PubChem CID10104245
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate
SMILESC=CCNC(=O)N(C)CC(=O)OCC
InChIInChI=1S/C9H16N2O3/c1-4-6-10-9(13)11(3)7-8(12)14-5-2/h4H,1,5-7H2,2-3H3,(H,10,13)
InChIKeyGBYPCGIYRHMPHY-UHFFFAOYSA-N
XLogP0.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-[methyl(prop-2-enylcarbamoyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate (CID 10104245) is ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate is C=CCNC(=O)N(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate?
The InChIKey is GBYPCGIYRHMPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-6-10-9(13)11(3)7-8(12)14-5-2/h4H,1,5-7H2,2-3H3,(H,10,13).
What are the key properties of ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate?
ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate has a molecular weight of 200.24 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(prop-2-enylcarbamoyl)amino]acetate is sourced from PubChem (CID 10104245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).