ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate

C6H10N2O4 — CID 139266119

IUPACethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate
SMILESCCOC(=O)/C(C/C=N/O)=N\O
InChIInChI=1S/C6H10N2O4/c1-2-12-6(9)5(8-11)3-4-7-10/h4,10-11H,2-3H2,1H3/b7-4+,8-5-
InChIKeyWTEFXTOHGPPICY-NIQPXEJBSA-N
MW174.16 g/mol
LogP0.23
Rot. Bonds4

About ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate

ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate (PubChem CID 139266119) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate.

Molecular Properties

Compound Nameethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate
PubChem CID139266119
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Nameethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate
SMILESCCOC(=O)/C(C/C=N/O)=N\O
InChIInChI=1S/C6H10N2O4/c1-2-12-6(9)5(8-11)3-4-7-10/h4,10-11H,2-3H2,1H3/b7-4+,8-5-
InChIKeyWTEFXTOHGPPICY-NIQPXEJBSA-N
XLogP0.23
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

1-O-ethyl 5-O-methyl (2Z)-2-hydroxyiminopentanedioate
CID 88776427
ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate
CID 18370813
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
ethyl 2-hydroxyiminopropanoate
CID 6399798
[(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium
CID 7380937
ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate
CID 85434641
ethyl 2-hydroxyimino-7-oxo-7-(propan-2-ylamino)heptanoate
CID 131872190
ethyl 2-hydroxyimino-3-(4-methylphenyl)propanoate
CID 142461557
ethyl (2Z)-5-cyano-2-hydroxyiminopentanoate
CID 6399056
ethyl 2-methoxyimino-4-oxobutanoate
CID 87332904
ethyl (2E)-2-hydroxyiminobut-3-enoate
CID 138059477
ethyl (E)-3-amino-2-methanethioylbut-2-enoate
CID 87587152

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate?
The IUPAC name of ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate (CID 139266119) is ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate.
What is the SMILES notation for ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate?
The canonical SMILES for ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate is CCOC(=O)/C(C/C=N/O)=N\O.
What is the InChIKey of ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate?
The InChIKey is WTEFXTOHGPPICY-NIQPXEJBSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-2-12-6(9)5(8-11)3-4-7-10/h4,10-11H,2-3H2,1H3/b7-4+,8-5-.
What are the key properties of ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate?
ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate has a molecular weight of 174.16 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate is sourced from PubChem (CID 139266119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).