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

C10H10ClNO3 — CID 57101882

IUPAC2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid
SMILESC=C(NOCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3/c1-7(12-15-6-10(13)14)8-2-4-9(11)5-3-8/h2-5,12H,1,6H2,(H,13,14)
InChIKeyUZKBVXCKLBSMHN-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.92
Rot. Bonds5

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

2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid (PubChem CID 57101882) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid
PubChem CID57101882
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid
SMILESC=C(NOCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3/c1-7(12-15-6-10(13)14)8-2-4-9(11)5-3-8/h2-5,12H,1,6H2,(H,13,14)
InChIKeyUZKBVXCKLBSMHN-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.92
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-(4-Chlorophenyl)-1,2-oxazol-5-ol
CID 5056057
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
2-[(3,4-Dichlorophenyl)methylamino]oxyacetic acid
CID 23499557
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetamide
CID 56975337
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
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
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetonitrile
CID 57109794

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid (CID 57101882) is 2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid is C=C(NOCC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid?
The InChIKey is UZKBVXCKLBSMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-7(12-15-6-10(13)14)8-2-4-9(11)5-3-8/h2-5,12H,1,6H2,(H,13,14).
What are the key properties of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid?
2-[1-(4-chlorophenyl)ethenylamino]oxyacetic acid has a molecular weight of 227.65 g/mol, XLogP of 1.92, 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]oxyacetic acid is sourced from PubChem (CID 57101882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).