methyl 2-(methylideneamino)acetate

C4H7NO2 — CID 3084751

IUPACmethyl 2-(methylideneamino)acetate
SMILESC=NCC(=O)OC
InChIInChI=1S/C4H7NO2/c1-5-3-4(6)7-2/h1,3H2,2H3
InChIKeyZRGVTTCCASYOFN-UHFFFAOYSA-N
MW101.11 g/mol
LogP-0.14
Rot. Bonds2

About methyl 2-(methylideneamino)acetate

methyl 2-(methylideneamino)acetate (PubChem CID 3084751) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is methyl 2-(methylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(methylideneamino)acetate
PubChem CID3084751
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Namemethyl 2-(methylideneamino)acetate
SMILESC=NCC(=O)OC
InChIInChI=1S/C4H7NO2/c1-5-3-4(6)7-2/h1,3H2,2H3
InChIKeyZRGVTTCCASYOFN-UHFFFAOYSA-N
XLogP-0.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
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-(methylideneamino)acetate?
The IUPAC name of methyl 2-(methylideneamino)acetate (CID 3084751) is methyl 2-(methylideneamino)acetate.
What is the SMILES notation for methyl 2-(methylideneamino)acetate?
The canonical SMILES for methyl 2-(methylideneamino)acetate is C=NCC(=O)OC.
What is the InChIKey of methyl 2-(methylideneamino)acetate?
The InChIKey is ZRGVTTCCASYOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-5-3-4(6)7-2/h1,3H2,2H3.
What are the key properties of methyl 2-(methylideneamino)acetate?
methyl 2-(methylideneamino)acetate has a molecular weight of 101.11 g/mol, XLogP of -0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylideneamino)acetate is sourced from PubChem (CID 3084751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).