ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate

C12H14N2O5 — CID 6416707

IUPACethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate
SMILESCCOC(=O)/C(=N/O)C(=O)Nc1ccccc1OC
InChIInChI=1S/C12H14N2O5/c1-3-19-12(16)10(14-17)11(15)13-8-6-4-5-7-9(8)18-2/h4-7,17H,3H2,1-2H3,(H,13,15)/b14-10+
InChIKeyBZTYDDHOWRWQHA-GXDHUFHOSA-N
MW266.25 g/mol
LogP1.03
Rot. Bonds5

About ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate

ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate (PubChem CID 6416707) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate.

Molecular Properties

Compound Nameethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate
PubChem CID6416707
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Nameethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate
SMILESCCOC(=O)/C(=N/O)C(=O)Nc1ccccc1OC
InChIInChI=1S/C12H14N2O5/c1-3-19-12(16)10(14-17)11(15)13-8-6-4-5-7-9(8)18-2/h4-7,17H,3H2,1-2H3,(H,13,15)/b14-10+
InChIKeyBZTYDDHOWRWQHA-GXDHUFHOSA-N
XLogP1.03
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
ethyl 3-(4-chloro-2-methylanilino)-2-hydroxyimino-3-oxopropanoate
CID 163220422
ethyl 2-cyano-3-(2-methoxyanilino)-3-sulfanylprop-2-enoate
CID 5182354
ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate
CID 15075008
N',N'-diethyl-N-(2-methoxyphenyl)oxamide
CID 47335830
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
ethane;(2-methoxyphenyl)urea
CID 143063924
N-(3-chloro-2-methylphenyl)-N'-(2-methoxyphenyl)oxamide
CID 45000336
ethyl (2Z,3E)-3-[[2-(5-chloro-2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]-2-hydroxyiminobutanoate
CID 135819821
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
ethyl 2-[3-[(2-ethoxy-2-oxoacetyl)amino]-4-methoxyanilino]-2-oxoacetate
CID 12897325
ethyl 4-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]benzoate
CID 111078207

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate?
The IUPAC name of ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate (CID 6416707) is ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate.
What is the SMILES notation for ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate?
The canonical SMILES for ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate is CCOC(=O)/C(=N/O)C(=O)Nc1ccccc1OC.
What is the InChIKey of ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate?
The InChIKey is BZTYDDHOWRWQHA-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-3-19-12(16)10(14-17)11(15)13-8-6-4-5-7-9(8)18-2/h4-7,17H,3H2,1-2H3,(H,13,15)/b14-10+.
What are the key properties of ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate?
ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate has a molecular weight of 266.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate is sourced from PubChem (CID 6416707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).