2-hydroxy-2-methoxyethanimidamide

C3H8N2O2 — CID 87313491

IUPAC2-hydroxy-2-methoxyethanimidamide
SMILES[H]/N=C(\N)C(O)OC
InChIInChI=1S/C3H8N2O2/c1-7-3(6)2(4)5/h3,6H,1H3,(H3,4,5)
InChIKeyMBEGJAWLAFDKEN-UHFFFAOYSA-N
MW104.11 g/mol
LogP-1.11
Rot. Bonds2

About 2-hydroxy-2-methoxyethanimidamide

2-hydroxy-2-methoxyethanimidamide (PubChem CID 87313491) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-hydroxy-2-methoxyethanimidamide.

Molecular Properties

Compound Name2-hydroxy-2-methoxyethanimidamide
PubChem CID87313491
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Name2-hydroxy-2-methoxyethanimidamide
SMILES[H]/N=C(\N)C(O)OC
InChIInChI=1S/C3H8N2O2/c1-7-3(6)2(4)5/h3,6H,1H3,(H3,4,5)
InChIKeyMBEGJAWLAFDKEN-UHFFFAOYSA-N
XLogP-1.11
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methoxyethanimidamide?
The IUPAC name of 2-hydroxy-2-methoxyethanimidamide (CID 87313491) is 2-hydroxy-2-methoxyethanimidamide.
What is the SMILES notation for 2-hydroxy-2-methoxyethanimidamide?
The canonical SMILES for 2-hydroxy-2-methoxyethanimidamide is [H]/N=C(\N)C(O)OC.
What is the InChIKey of 2-hydroxy-2-methoxyethanimidamide?
The InChIKey is MBEGJAWLAFDKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-7-3(6)2(4)5/h3,6H,1H3,(H3,4,5).
What are the key properties of 2-hydroxy-2-methoxyethanimidamide?
2-hydroxy-2-methoxyethanimidamide has a molecular weight of 104.11 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methoxyethanimidamide is sourced from PubChem (CID 87313491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).