ethyl (2E)-2-amino-2-hydroxyiminoacetate

C4H8N2O3 — CID 6411350

IUPACethyl (2E)-2-amino-2-hydroxyiminoacetate
SMILESCCOC(=O)/C(N)=N\O
InChIInChI=1S/C4H8N2O3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3,(H2,5,6)
InChIKeyQGYKRMZPOOILBA-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.70
Rot. Bonds1

About ethyl (2E)-2-amino-2-hydroxyiminoacetate

ethyl (2E)-2-amino-2-hydroxyiminoacetate (PubChem CID 6411350) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is ethyl (2E)-2-amino-2-hydroxyiminoacetate.

Molecular Properties

Compound Nameethyl (2E)-2-amino-2-hydroxyiminoacetate
PubChem CID6411350
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Nameethyl (2E)-2-amino-2-hydroxyiminoacetate
SMILESCCOC(=O)/C(N)=N\O
InChIInChI=1S/C4H8N2O3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3,(H2,5,6)
InChIKeyQGYKRMZPOOILBA-UHFFFAOYSA-N
XLogP-0.70
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-hydroxyiminopropanoate
CID 6399798
CID 159370772
CID 159370772
acetic acid;diethyl 2-hydroxyiminopropanedioate
CID 6400145
ethyl 2-oxopropanoate;nitrous acid
CID 174912891
ethyl (2E)-2-hydroxyimino-3-methylbutanoate
CID 11094910
ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate
CID 112756193
ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate
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ethyl (2E)-2-hydroxyiminobut-3-enoate
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ethyl (2E)-3,3,3-trifluoro-2-hydroxyiminopropanoate
CID 46222834
2-O-(diaminomethylideneamino) 1-O-ethyl oxalate
CID 57134216
CID 171370380
CID 171370380
ethyl 2-oxo(213C)propanoate
CID 71309469

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-amino-2-hydroxyiminoacetate?
The IUPAC name of ethyl (2E)-2-amino-2-hydroxyiminoacetate (CID 6411350) is ethyl (2E)-2-amino-2-hydroxyiminoacetate.
What is the SMILES notation for ethyl (2E)-2-amino-2-hydroxyiminoacetate?
The canonical SMILES for ethyl (2E)-2-amino-2-hydroxyiminoacetate is CCOC(=O)/C(N)=N\O.
What is the InChIKey of ethyl (2E)-2-amino-2-hydroxyiminoacetate?
The InChIKey is QGYKRMZPOOILBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3,(H2,5,6).
What are the key properties of ethyl (2E)-2-amino-2-hydroxyiminoacetate?
ethyl (2E)-2-amino-2-hydroxyiminoacetate has a molecular weight of 132.12 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-amino-2-hydroxyiminoacetate is sourced from PubChem (CID 6411350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).