methyl 3-methyloxaziridine-3-carboxylate

C4H7NO3 — CID 54398424

IUPACmethyl 3-methyloxaziridine-3-carboxylate
SMILESCOC(=O)C1(C)NO1
InChIInChI=1S/C4H7NO3/c1-4(5-8-4)3(6)7-2/h5H,1-2H3
InChIKeyVLRGMGJXMYHRNS-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.59
Rot. Bonds1

About methyl 3-methyloxaziridine-3-carboxylate

methyl 3-methyloxaziridine-3-carboxylate (PubChem CID 54398424) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is methyl 3-methyloxaziridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyloxaziridine-3-carboxylate
PubChem CID54398424
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Namemethyl 3-methyloxaziridine-3-carboxylate
SMILESCOC(=O)C1(C)NO1
InChIInChI=1S/C4H7NO3/c1-4(5-8-4)3(6)7-2/h5H,1-2H3
InChIKeyVLRGMGJXMYHRNS-UHFFFAOYSA-N
XLogP-0.59
TPSA60.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methyl 3-ethyl-2,3-dimethyloxirane-2-carboxylate
CID 12916411
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
methane;methyl 3-methyloxetane-3-carboxylate
CID 167597787
methyl 4-methyl-1,3-oxazolidine-4-carboxylate
CID 45086646
methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
dimethyl 6-oxabicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 14970965
dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate
CID 3519401
methyl 2-methylthiirane-2-carboxylate
CID 13498200
methyl 4,4-dimethyl-2-(2-methylpropyl)-1-oxaspiro[2.3]hexane-2-carboxylate
CID 165447944
methyl 3-(2,3,3-trimethyloxiran-2-yl)propanoate
CID 11008390

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyloxaziridine-3-carboxylate?
The IUPAC name of methyl 3-methyloxaziridine-3-carboxylate (CID 54398424) is methyl 3-methyloxaziridine-3-carboxylate.
What is the SMILES notation for methyl 3-methyloxaziridine-3-carboxylate?
The canonical SMILES for methyl 3-methyloxaziridine-3-carboxylate is COC(=O)C1(C)NO1.
What is the InChIKey of methyl 3-methyloxaziridine-3-carboxylate?
The InChIKey is VLRGMGJXMYHRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-4(5-8-4)3(6)7-2/h5H,1-2H3.
What are the key properties of methyl 3-methyloxaziridine-3-carboxylate?
methyl 3-methyloxaziridine-3-carboxylate has a molecular weight of 117.10 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyloxaziridine-3-carboxylate is sourced from PubChem (CID 54398424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).