methyl 2-(methylamino)azirine-2-carboxylate

C5H8N2O2 — CID 123478198

IUPACmethyl 2-(methylamino)azirine-2-carboxylate
SMILESCNC1(C(=O)OC)C=N1
InChIInChI=1S/C5H8N2O2/c1-6-5(3-7-5)4(8)9-2/h3,6H,1-2H3
InChIKeyWLJKMACXRWXFEH-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.84
Rot. Bonds2

About methyl 2-(methylamino)azirine-2-carboxylate

methyl 2-(methylamino)azirine-2-carboxylate (PubChem CID 123478198) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is methyl 2-(methylamino)azirine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methylamino)azirine-2-carboxylate
PubChem CID123478198
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Namemethyl 2-(methylamino)azirine-2-carboxylate
SMILESCNC1(C(=O)OC)C=N1
InChIInChI=1S/C5H8N2O2/c1-6-5(3-7-5)4(8)9-2/h3,6H,1-2H3
InChIKeyWLJKMACXRWXFEH-UHFFFAOYSA-N
XLogP-0.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)azirine-2-carboxylate?
The IUPAC name of methyl 2-(methylamino)azirine-2-carboxylate (CID 123478198) is methyl 2-(methylamino)azirine-2-carboxylate.
What is the SMILES notation for methyl 2-(methylamino)azirine-2-carboxylate?
The canonical SMILES for methyl 2-(methylamino)azirine-2-carboxylate is CNC1(C(=O)OC)C=N1.
What is the InChIKey of methyl 2-(methylamino)azirine-2-carboxylate?
The InChIKey is WLJKMACXRWXFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-6-5(3-7-5)4(8)9-2/h3,6H,1-2H3.
What are the key properties of methyl 2-(methylamino)azirine-2-carboxylate?
methyl 2-(methylamino)azirine-2-carboxylate has a molecular weight of 128.13 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)azirine-2-carboxylate is sourced from PubChem (CID 123478198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).