methyl 2-hydroxyiminopropanoate

C4H7NO3 — CID 71435832

IUPACmethyl 2-hydroxyiminopropanoate
SMILESCOC(=O)C(C)=NO
InChIInChI=1S/C4H7NO3/c1-3(5-7)4(6)8-2/h7H,1-2H3
InChIKeyGXUGQCNCLMAZCH-UHFFFAOYSA-N
MW117.10 g/mol
LogP0.01
Rot. Bonds1

About methyl 2-hydroxyiminopropanoate

methyl 2-hydroxyiminopropanoate (PubChem CID 71435832) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is methyl 2-hydroxyiminopropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxyiminopropanoate
PubChem CID71435832
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Namemethyl 2-hydroxyiminopropanoate
SMILESCOC(=O)C(C)=NO
InChIInChI=1S/C4H7NO3/c1-3(5-7)4(6)8-2/h7H,1-2H3
InChIKeyGXUGQCNCLMAZCH-UHFFFAOYSA-N
XLogP0.01
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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 methyl 2-hydroxyiminopropanoate?
The IUPAC name of methyl 2-hydroxyiminopropanoate (CID 71435832) is methyl 2-hydroxyiminopropanoate.
What is the SMILES notation for methyl 2-hydroxyiminopropanoate?
The canonical SMILES for methyl 2-hydroxyiminopropanoate is COC(=O)C(C)=NO.
What is the InChIKey of methyl 2-hydroxyiminopropanoate?
The InChIKey is GXUGQCNCLMAZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-3(5-7)4(6)8-2/h7H,1-2H3.
What are the key properties of methyl 2-hydroxyiminopropanoate?
methyl 2-hydroxyiminopropanoate has a molecular weight of 117.10 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxyiminopropanoate is sourced from PubChem (CID 71435832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).