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

C11H13NO3 — CID 2308496

IUPAC2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid
SMILESC=C(NOCC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C11H13NO3/c1-8-3-5-10(6-4-8)9(2)12-15-7-11(13)14/h3-6,12H,2,7H2,1H3,(H,13,14)
InChIKeyBMRASUHCQDANEK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.57
Rot. Bonds5

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

2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid (PubChem CID 2308496) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid
PubChem CID2308496
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid
SMILESC=C(NOCC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C11H13NO3/c1-8-3-5-10(6-4-8)9(2)12-15-7-11(13)14/h3-6,12H,2,7H2,1H3,(H,13,14)
InChIKeyBMRASUHCQDANEK-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid 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

N-[(1S)-1-phenylethyl]hydroxylamine; oxalic acid
CID 11954986
3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56974051
3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
N-benzylhydroxylamine;oxalic acid
CID 134994038
(R)-N-(1-Phenylethyl)hydroxylamine oxalate
CID 12482301
2-[(4-Fluorophenyl)methylamino]oxyacetic acid
CID 21947376
2-[1-(4-Bromophenyl)ethenylamino]oxyacetic acid
CID 1849698
2-hydroxy-2-oxoacetate;hydroxy-[(1S)-1-phenylethyl]azanium
CID 10911280
5-methyl-3-phenyl-2H-1,2-oxazole-5-carboxylic acid
CID 19976915
3-(4-Methylphenyl)-1,2-oxazol-5-ol
CID 23469387

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid?
The IUPAC name of 2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid (CID 2308496) is 2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid is C=C(NOCC(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid?
The InChIKey is BMRASUHCQDANEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-3-5-10(6-4-8)9(2)12-15-7-11(13)14/h3-6,12H,2,7H2,1H3,(H,13,14).
What are the key properties of 2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid?
2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)ethenylamino]oxyacetic acid is sourced from PubChem (CID 2308496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).