methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate

C11H12BrNO3 — CID 57210391

IUPACmethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO3/c1-8(13-16-7-11(14)15-2)9-3-5-10(12)6-4-9/h3-6,13H,1,7H2,2H3
InChIKeyOQEQQVKFPVXRDS-UHFFFAOYSA-N
MW286.13 g/mol
LogP2.11
Rot. Bonds5

About methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate

methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate (PubChem CID 57210391) has the molecular formula C11H12BrNO3 and a molecular weight of 286.13 g/mol. Its IUPAC name is methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
PubChem CID57210391
Molecular FormulaC11H12BrNO3
Molecular Weight286.13 g/mol
Exact Mass285.00
IUPAC Namemethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO3/c1-8(13-16-7-11(14)15-2)9-3-5-10(12)6-4-9/h3-6,13H,1,7H2,2H3
InChIKeyOQEQQVKFPVXRDS-UHFFFAOYSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 52.11
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 (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate
CID 49831966
2-[1-(4-Bromophenyl)ethenylamino]oxyacetic acid
CID 1849698
ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate
CID 12021528
Ethyl 3-amino-3-(4-bromophenyl)prop-2-enoate
CID 53401886
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate
CID 56994722
1-(4-bromophenyl)-N-methoxyethenamine
CID 56995875
N-[1-(4-bromophenyl)ethenylamino]oxyacetamide
CID 57147018
3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57164117
[[2-Bromo-1-(4-bromophenyl)ethenyl]amino] acetate
CID 57293911
2-(Dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
CID 57315121
actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide
CID 59082654
(E)-Ethyl 3-amino-3-(4-bromophenyl)acrylate
CID 66920314

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate?
The IUPAC name of methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate (CID 57210391) is methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate.
What is the SMILES notation for methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate?
The canonical SMILES for methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate is C=C(NOCC(=O)OC)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate?
The InChIKey is OQEQQVKFPVXRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-8(13-16-7-11(14)15-2)9-3-5-10(12)6-4-9/h3-6,13H,1,7H2,2H3.
What are the key properties of methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate?
methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate has a molecular weight of 286.13 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate is sourced from PubChem (CID 57210391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).