methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

C11H12ClNO3 — CID 57056971

IUPACmethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OC)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-8(13-16-7-11(14)15-2)9-3-5-10(12)6-4-9/h3-6,13H,1,7H2,2H3
InChIKeyFVVFFENMQBHQJL-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.00
Rot. Bonds5

About methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (PubChem CID 57056971) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
PubChem CID57056971
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Namemethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OC)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-8(13-16-7-11(14)15-2)9-3-5-10(12)6-4-9/h3-6,13H,1,7H2,2H3
InChIKeyFVVFFENMQBHQJL-UHFFFAOYSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate 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

3-(4-Chlorophenyl)-1,2-oxazol-5-ol
CID 5056057
Ethyl 3-amino-3-(4-chlorophenyl)acrylate
CID 100999922
methyl (Z)-3-amino-3-(4-chlorophenyl)prop-2-enoate
CID 21201226
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetamide
CID 56975337
2-(Dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 56978020
N-[1-(4-chlorophenyl)ethenylamino]oxyacetamide
CID 56990726
Methyl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57004507
2-(Methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57032955
Propan-2-yl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57042460
3-[1-(4-Chlorophenyl)prop-1-enylamino]oxypropanoic acid
CID 57055646
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetic acid
CID 57101882
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetonitrile
CID 57109794

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The IUPAC name of methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (CID 57056971) is methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.
What is the SMILES notation for methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The canonical SMILES for methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is C=C(NOCC(=O)OC)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The InChIKey is FVVFFENMQBHQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-8(13-16-7-11(14)15-2)9-3-5-10(12)6-4-9/h3-6,13H,1,7H2,2H3.
What are the key properties of methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate has a molecular weight of 241.67 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is sourced from PubChem (CID 57056971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).