2-[1-(4-methylphenyl)ethenylamino]oxyacetate

C11H12NO3- — CID 2308495

IUPAC2-[1-(4-methylphenyl)ethenylamino]oxyacetate
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)/p-1
InChIKeyBMRASUHCQDANEK-UHFFFAOYSA-M
MW206.22 g/mol
LogP0.24
Rot. Bonds5

About 2-[1-(4-methylphenyl)ethenylamino]oxyacetate

2-[1-(4-methylphenyl)ethenylamino]oxyacetate (PubChem CID 2308495) has the molecular formula C11H12NO3- and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)ethenylamino]oxyacetate.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)ethenylamino]oxyacetate
PubChem CID2308495
Molecular FormulaC11H12NO3-
Molecular Weight206.22 g/mol
Exact Mass206.08
IUPAC Name2-[1-(4-methylphenyl)ethenylamino]oxyacetate
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)/p-1
InChIKeyBMRASUHCQDANEK-UHFFFAOYSA-M
XLogP0.24
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (S)-2-(((1-phenylethyl)amino)oxy)acetate
CID 163358803
3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one
CID 130170888
3-(4-Methylphenyl)-1,2-oxazol-5-ol
CID 23469387
3-[4-(2H-oxazin-3-yl)phenyl]-2H-oxazine
CID 54269846
3-(Methoxyamino)-3-phenylprop-2-enoic acid
CID 56636585
N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753
N-methoxy-1-phenylethenamine
CID 57019938
3-Phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57036549
Methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57056971
1-phenyl-N-prop-2-enoxyethenamine
CID 57096615
4-(Methoxyamino)-4-phenylbut-3-enoic acid
CID 57132656
(E)-N-methoxy-1-(4-methylphenyl)prop-1-en-1-amine
CID 57142465

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)ethenylamino]oxyacetate?
The IUPAC name of 2-[1-(4-methylphenyl)ethenylamino]oxyacetate (CID 2308495) is 2-[1-(4-methylphenyl)ethenylamino]oxyacetate.
What is the SMILES notation for 2-[1-(4-methylphenyl)ethenylamino]oxyacetate?
The canonical SMILES for 2-[1-(4-methylphenyl)ethenylamino]oxyacetate is C=C(NOCC(=O)[O-])c1ccc(C)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)ethenylamino]oxyacetate?
The InChIKey is BMRASUHCQDANEK-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[1-(4-methylphenyl)ethenylamino]oxyacetate?
2-[1-(4-methylphenyl)ethenylamino]oxyacetate has a molecular weight of 206.22 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)ethenylamino]oxyacetate is sourced from PubChem (CID 2308495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).