methyl 2-(hydroxyamino)acetate

C3H7NO3 — CID 10125051

IUPACmethyl 2-(hydroxyamino)acetate
SMILESCOC(=O)CNO
InChIInChI=1S/C3H7NO3/c1-7-3(5)2-4-6/h4,6H,2H2,1H3
InChIKeyIBUGQQLHGWSGFT-UHFFFAOYSA-N
MW105.09 g/mol
LogP-0.86
Rot. Bonds2

About methyl 2-(hydroxyamino)acetate

methyl 2-(hydroxyamino)acetate (PubChem CID 10125051) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is methyl 2-(hydroxyamino)acetate.

Molecular Properties

Compound Namemethyl 2-(hydroxyamino)acetate
PubChem CID10125051
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Namemethyl 2-(hydroxyamino)acetate
SMILESCOC(=O)CNO
InChIInChI=1S/C3H7NO3/c1-7-3(5)2-4-6/h4,6H,2H2,1H3
InChIKeyIBUGQQLHGWSGFT-UHFFFAOYSA-N
XLogP-0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxyamino)acetate?
The IUPAC name of methyl 2-(hydroxyamino)acetate (CID 10125051) is methyl 2-(hydroxyamino)acetate.
What is the SMILES notation for methyl 2-(hydroxyamino)acetate?
The canonical SMILES for methyl 2-(hydroxyamino)acetate is COC(=O)CNO.
What is the InChIKey of methyl 2-(hydroxyamino)acetate?
The InChIKey is IBUGQQLHGWSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3/c1-7-3(5)2-4-6/h4,6H,2H2,1H3.
What are the key properties of methyl 2-(hydroxyamino)acetate?
methyl 2-(hydroxyamino)acetate has a molecular weight of 105.09 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxyamino)acetate is sourced from PubChem (CID 10125051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).