methyl 2-methyliminoacetate

C4H7NO2 — CID 22138582

IUPACmethyl 2-methyliminoacetate
SMILESC/N=C/C(=O)OC
InChIInChI=1S/C4H7NO2/c1-5-3-4(6)7-2/h3H,1-2H3/b5-3+
InChIKeyNXAVRHIXSVZJGE-HWKANZROSA-N
MW101.10 g/mol
LogP-0.14
Rot. Bonds1

About methyl 2-methyliminoacetate

methyl 2-methyliminoacetate (PubChem CID 22138582) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is methyl 2-methyliminoacetate.

Molecular Properties

Compound Namemethyl 2-methyliminoacetate
PubChem CID22138582
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Namemethyl 2-methyliminoacetate
SMILESC/N=C/C(=O)OC
InChIInChI=1S/C4H7NO2/c1-5-3-4(6)7-2/h3H,1-2H3/b5-3+
InChIKeyNXAVRHIXSVZJGE-HWKANZROSA-N
XLogP-0.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.14
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 methyl 2-methyliminoacetate?
The IUPAC name of methyl 2-methyliminoacetate (CID 22138582) is methyl 2-methyliminoacetate.
What is the SMILES notation for methyl 2-methyliminoacetate?
The canonical SMILES for methyl 2-methyliminoacetate is C/N=C/C(=O)OC.
What is the InChIKey of methyl 2-methyliminoacetate?
The InChIKey is NXAVRHIXSVZJGE-HWKANZROSA-N. The full InChI is InChI=1S/C4H7NO2/c1-5-3-4(6)7-2/h3H,1-2H3/b5-3+.
What are the key properties of methyl 2-methyliminoacetate?
methyl 2-methyliminoacetate has a molecular weight of 101.10 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyliminoacetate is sourced from PubChem (CID 22138582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).