2-methyliminoacetate

C3H4NO2- — CID 23183978

IUPAC2-methyliminoacetate
SMILESC/N=C/C(=O)[O-]
InChIInChI=1S/C3H5NO2/c1-4-2-3(5)6/h2H,1H3,(H,5,6)/p-1/b4-2+
InChIKeySEXCGGHGAGDKHP-DUXPYHPUSA-M
MW86.07 g/mol
LogP-1.56
Rot. Bonds1

About 2-methyliminoacetate

2-methyliminoacetate (PubChem CID 23183978) has the molecular formula C3H4NO2- and a molecular weight of 86.07 g/mol. Its IUPAC name is 2-methyliminoacetate.

Molecular Properties

Compound Name2-methyliminoacetate
PubChem CID23183978
Molecular FormulaC3H4NO2-
Molecular Weight86.07 g/mol
Exact Mass86.02
IUPAC Name2-methyliminoacetate
SMILESC/N=C/C(=O)[O-]
InChIInChI=1S/C3H5NO2/c1-4-2-3(5)6/h2H,1H3,(H,5,6)/p-1/b4-2+
InChIKeySEXCGGHGAGDKHP-DUXPYHPUSA-M
XLogP-1.56
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.07
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyliminoacetate?
The IUPAC name of 2-methyliminoacetate (CID 23183978) is 2-methyliminoacetate.
What is the SMILES notation for 2-methyliminoacetate?
The canonical SMILES for 2-methyliminoacetate is C/N=C/C(=O)[O-].
What is the InChIKey of 2-methyliminoacetate?
The InChIKey is SEXCGGHGAGDKHP-DUXPYHPUSA-M. The full InChI is InChI=1S/C3H5NO2/c1-4-2-3(5)6/h2H,1H3,(H,5,6)/p-1/b4-2+.
What are the key properties of 2-methyliminoacetate?
2-methyliminoacetate has a molecular weight of 86.07 g/mol, XLogP of -1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliminoacetate is sourced from PubChem (CID 23183978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).