ethyl (2Z)-2-hydroxyiminoacetate

C4H7NO3 — CID 6399379

IUPACethyl (2Z)-2-hydroxyiminoacetate
SMILESCCOC(=O)/C=N\O
InChIInChI=1S/C4H7NO3/c1-2-8-4(6)3-5-7/h3,7H,2H2,1H3/b5-3-
InChIKeyMWOBRJZWNNCTSK-HYXAFXHYSA-N
MW117.10 g/mol
LogP0.01
Rot. Bonds2

About ethyl (2Z)-2-hydroxyiminoacetate

ethyl (2Z)-2-hydroxyiminoacetate (PubChem CID 6399379) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is ethyl (2Z)-2-hydroxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-hydroxyiminoacetate
PubChem CID6399379
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Nameethyl (2Z)-2-hydroxyiminoacetate
SMILESCCOC(=O)/C=N\O
InChIInChI=1S/C4H7NO3/c1-2-8-4(6)3-5-7/h3,7H,2H2,1H3/b5-3-
InChIKeyMWOBRJZWNNCTSK-HYXAFXHYSA-N
XLogP0.01
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-hydroxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-hydroxyiminoacetate (CID 6399379) is ethyl (2Z)-2-hydroxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-hydroxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-hydroxyiminoacetate is CCOC(=O)/C=N\O.
What is the InChIKey of ethyl (2Z)-2-hydroxyiminoacetate?
The InChIKey is MWOBRJZWNNCTSK-HYXAFXHYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-2-8-4(6)3-5-7/h3,7H,2H2,1H3/b5-3-.
What are the key properties of ethyl (2Z)-2-hydroxyiminoacetate?
ethyl (2Z)-2-hydroxyiminoacetate has a molecular weight of 117.10 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-hydroxyiminoacetate is sourced from PubChem (CID 6399379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).