2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid

C11H12ClNO3 — CID 57126545

IUPAC2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid
SMILESC=C(NOC(C)C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-7(13-16-8(2)11(14)15)9-3-5-10(12)6-4-9/h3-6,8,13H,1H2,2H3,(H,14,15)
InChIKeyUVEUMDMDEDQQBI-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.31
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid

2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid (PubChem CID 57126545) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid
PubChem CID57126545
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid
SMILESC=C(NOC(C)C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-7(13-16-8(2)11(14)15)9-3-5-10(12)6-4-9/h3-6,8,13H,1H2,2H3,(H,14,15)
InChIKeyUVEUMDMDEDQQBI-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57022113
3-(3-Chloro-2-fluorophenyl)-2,5-dihydroisoxazole-5-carboxylic acid
CID 155895362
3-(3,5-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56978868
3-(2-Chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56993941
Methyl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57004507
3-(2,3-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57022269
3-Phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57036549
Propan-2-yl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57042460
3-(3-Chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57049497
3-[1-(4-Chlorophenyl)prop-1-enylamino]oxypropanoic acid
CID 57055646
Methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57056971
3-(2,5-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57061200

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid (CID 57126545) is 2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid is C=C(NOC(C)C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid?
The InChIKey is UVEUMDMDEDQQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-7(13-16-8(2)11(14)15)9-3-5-10(12)6-4-9/h3-6,8,13H,1H2,2H3,(H,14,15).
What are the key properties of 2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid?
2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid has a molecular weight of 241.67 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid is sourced from PubChem (CID 57126545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).