methyl 2-amino-N-methyl-2-oxoethanimidate

C4H8N2O2 — CID 167187226

IUPACmethyl 2-amino-N-methyl-2-oxoethanimidate
SMILESC/N=C(\OC)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-6-4(8-2)3(5)7/h1-2H3,(H2,5,7)/b6-4-
InChIKeyPWCFSDCDEZHAFR-XQRVVYSFSA-N
MW116.12 g/mol
LogP-0.85
Rot. Bonds

About methyl 2-amino-N-methyl-2-oxoethanimidate

methyl 2-amino-N-methyl-2-oxoethanimidate (PubChem CID 167187226) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is methyl 2-amino-N-methyl-2-oxoethanimidate.

Molecular Properties

Compound Namemethyl 2-amino-N-methyl-2-oxoethanimidate
PubChem CID167187226
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Namemethyl 2-amino-N-methyl-2-oxoethanimidate
SMILESC/N=C(\OC)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-6-4(8-2)3(5)7/h1-2H3,(H2,5,7)/b6-4-
InChIKeyPWCFSDCDEZHAFR-XQRVVYSFSA-N
XLogP-0.85
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methyl 2-amino-N-methyl-2-oxoethanimidate?
The IUPAC name of methyl 2-amino-N-methyl-2-oxoethanimidate (CID 167187226) is methyl 2-amino-N-methyl-2-oxoethanimidate.
What is the SMILES notation for methyl 2-amino-N-methyl-2-oxoethanimidate?
The canonical SMILES for methyl 2-amino-N-methyl-2-oxoethanimidate is C/N=C(\OC)C(N)=O.
What is the InChIKey of methyl 2-amino-N-methyl-2-oxoethanimidate?
The InChIKey is PWCFSDCDEZHAFR-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-6-4(8-2)3(5)7/h1-2H3,(H2,5,7)/b6-4-.
What are the key properties of methyl 2-amino-N-methyl-2-oxoethanimidate?
methyl 2-amino-N-methyl-2-oxoethanimidate has a molecular weight of 116.12 g/mol, XLogP of -0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-N-methyl-2-oxoethanimidate is sourced from PubChem (CID 167187226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).