methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate

C10H15NO5 — CID 59029694

IUPACmethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate
SMILESC=CC(=O)N(CC(=O)OC)CC(=O)OCC
InChIInChI=1S/C10H15NO5/c1-4-8(12)11(6-9(13)15-3)7-10(14)16-5-2/h4H,1,5-7H2,2-3H3
InChIKeyWCVLAXKAEGWUPP-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.26
Rot. Bonds6

About methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate

methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate (PubChem CID 59029694) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate
PubChem CID59029694
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namemethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate
SMILESC=CC(=O)N(CC(=O)OC)CC(=O)OCC
InChIInChI=1S/C10H15NO5/c1-4-8(12)11(6-9(13)15-3)7-10(14)16-5-2/h4H,1,5-7H2,2-3H3
InChIKeyWCVLAXKAEGWUPP-UHFFFAOYSA-N
XLogP-0.26
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]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 methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate?
The IUPAC name of methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate (CID 59029694) is methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate.
What is the SMILES notation for methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate?
The canonical SMILES for methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate is C=CC(=O)N(CC(=O)OC)CC(=O)OCC.
What is the InChIKey of methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate?
The InChIKey is WCVLAXKAEGWUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-4-8(12)11(6-9(13)15-3)7-10(14)16-5-2/h4H,1,5-7H2,2-3H3.
What are the key properties of methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate?
methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate has a molecular weight of 229.23 g/mol, XLogP of -0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]acetate is sourced from PubChem (CID 59029694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).