3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid

C11H12ClNO3 — CID 57171435

IUPAC3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid
SMILESC=C(NOCCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-8(13-16-7-6-11(14)15)9-2-4-10(12)5-3-9/h2-5,13H,1,6-7H2,(H,14,15)
InChIKeyBIINBYORHOVXAM-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.31
Rot. Bonds6

About 3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid

3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid (PubChem CID 57171435) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid
PubChem CID57171435
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid
SMILESC=C(NOCCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-8(13-16-7-6-11(14)15)9-2-4-10(12)5-3-9/h2-5,13H,1,6-7H2,(H,14,15)
InChIKeyBIINBYORHOVXAM-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-Chlorobenzylaminooxymethyl)-2-methylpropanoic acid
CID 14650290
3-[1-(4-Chlorophenyl)prop-1-enylamino]oxypropanoic acid
CID 57055646
Methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57056971
3-[1-(4-Chlorophenyl)ethenylamino]oxypropanamide
CID 57068035
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetic acid
CID 57101882
4-[4-(4-Chlorophenyl)phenyl]-4-(methoxyamino)but-3-enoic acid
CID 57107046
2-[1-(4-Chlorophenyl)ethenylamino]oxypropanoic acid
CID 57126545
3-(4-Chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57143366
[1-(4-Chlorophenyl)ethenylamino] acetate
CID 57179071
2-[1-(2,4-Dichlorophenyl)ethenylamino]oxyacetic acid
CID 57301686
(4-Chlorophenyl)methanamine;propanedioic acid
CID 70532363
4-(3,4-Dichlorophenyl)-4-(methoxyamino)but-3-enoic acid
CID 90686350

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid?
The IUPAC name of 3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid (CID 57171435) is 3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid is C=C(NOCCC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid?
The InChIKey is BIINBYORHOVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-8(13-16-7-6-11(14)15)9-2-4-10(12)5-3-9/h2-5,13H,1,6-7H2,(H,14,15).
What are the key properties of 3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid?
3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid has a molecular weight of 241.67 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethenylamino]oxypropanoic acid is sourced from PubChem (CID 57171435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).