[2-(methylamino)-2-oxoethyl] prop-2-enoate

C6H9NO3 — CID 141279925

IUPAC[2-(methylamino)-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)NC
InChIInChI=1S/C6H9NO3/c1-3-6(9)10-4-5(8)7-2/h3H,1,4H2,2H3,(H,7,8)
InChIKeyBZHYWLQFJHJLSC-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.54
Rot. Bonds3

About [2-(methylamino)-2-oxoethyl] prop-2-enoate

[2-(methylamino)-2-oxoethyl] prop-2-enoate (PubChem CID 141279925) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] prop-2-enoate
PubChem CID141279925
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name[2-(methylamino)-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)NC
InChIInChI=1S/C6H9NO3/c1-3-6(9)10-4-5(8)7-2/h3H,1,4H2,2H3,(H,7,8)
InChIKeyBZHYWLQFJHJLSC-UHFFFAOYSA-N
XLogP-0.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(methylamino)-2-oxoethyl] prop-2-enoate 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

[2-(methylamino)-2-oxoethyl] pent-4-enoate
CID 163471503
2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964
[2-oxo-2-[2-(pentanoylamino)ethylamino]ethyl] prop-2-enoate
CID 171651417
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
methane;2-oxobut-3-enyl prop-2-enoate
CID 161424995
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
[(3R,4R)-3,4,5-trihydroxy-2-oxopentyl] prop-2-enoate
CID 87644162
[(E)-2-oxopent-3-enyl] prop-2-enoate
CID 141312744
ethyl prop-2-enoate;sulfane
CID 157093783
ethenamine;ethyl prop-2-enoate
CID 22022699
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
ethyl prop-2-enoate;hydrochloride
CID 87359594

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] prop-2-enoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] prop-2-enoate (CID 141279925) is [2-(methylamino)-2-oxoethyl] prop-2-enoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] prop-2-enoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] prop-2-enoate is C=CC(=O)OCC(=O)NC.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] prop-2-enoate?
The InChIKey is BZHYWLQFJHJLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-6(9)10-4-5(8)7-2/h3H,1,4H2,2H3,(H,7,8).
What are the key properties of [2-(methylamino)-2-oxoethyl] prop-2-enoate?
[2-(methylamino)-2-oxoethyl] prop-2-enoate has a molecular weight of 143.14 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 141279925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).