prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate

C10H15NO4 — CID 91713131

IUPACprop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate
SMILESC=CCOC(=O)CN(C)C(=O)COC=C
InChIInChI=1S/C10H15NO4/c1-4-6-15-10(13)7-11(3)9(12)8-14-5-2/h4-5H,1-2,6-8H2,3H3
InChIKeyOTIIEPAUQUOXAD-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.33
Rot. Bonds7

About prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate

prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate (PubChem CID 91713131) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate
PubChem CID91713131
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameprop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate
SMILESC=CCOC(=O)CN(C)C(=O)COC=C
InChIInChI=1S/C10H15NO4/c1-4-6-15-10(13)7-11(3)9(12)8-14-5-2/h4-5H,1-2,6-8H2,3H3
InChIKeyOTIIEPAUQUOXAD-UHFFFAOYSA-N
XLogP0.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]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

Acetic acid, (di-2-propenylamino)oxo-, ethyl ester
CID 3412735
3,3-Difluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
CID 139567530
3,3-Difluoroprop-2-enyl 2-(diethylamino)-2-oxoacetate
CID 139567534
3,3-Difluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate
CID 139567535
2-Fluoroprop-2-enyl 2-(diethylamino)-2-oxoacetate
CID 139567561
2-Fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567570
Prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567585
2-Fluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate
CID 139567589
2-Fluoroprop-2-enyl 2-[tert-butyl(prop-2-enyl)amino]-2-oxoacetate
CID 139567590
2-Fluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate
CID 139567592
2-Fluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
CID 139567594
2-Fluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
CID 139567595

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate?
The IUPAC name of prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate (CID 91713131) is prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate.
What is the SMILES notation for prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate?
The canonical SMILES for prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate is C=CCOC(=O)CN(C)C(=O)COC=C.
What is the InChIKey of prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate?
The InChIKey is OTIIEPAUQUOXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-4-6-15-10(13)7-11(3)9(12)8-14-5-2/h4-5H,1-2,6-8H2,3H3.
What are the key properties of prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate?
prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate has a molecular weight of 213.23 g/mol, XLogP of 0.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(2-ethenoxyacetyl)-methylamino]acetate is sourced from PubChem (CID 91713131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).