methyl oxaziridine-2-carboxylate

C3H5NO3 — CID 154013211

IUPACmethyl oxaziridine-2-carboxylate
SMILESCOC(=O)N1CO1
InChIInChI=1S/C3H5NO3/c1-6-3(5)4-2-7-4/h2H2,1H3
InChIKeyAYIMQNVACLTHIX-UHFFFAOYSA-N
MW103.08 g/mol
LogP-0.04
Rot. Bonds

About methyl oxaziridine-2-carboxylate

methyl oxaziridine-2-carboxylate (PubChem CID 154013211) has the molecular formula C3H5NO3 and a molecular weight of 103.08 g/mol. Its IUPAC name is methyl oxaziridine-2-carboxylate.

Molecular Properties

Compound Namemethyl oxaziridine-2-carboxylate
PubChem CID154013211
Molecular FormulaC3H5NO3
Molecular Weight103.08 g/mol
Exact Mass103.03
IUPAC Namemethyl oxaziridine-2-carboxylate
SMILESCOC(=O)N1CO1
InChIInChI=1S/C3H5NO3/c1-6-3(5)4-2-7-4/h2H2,1H3
InChIKeyAYIMQNVACLTHIX-UHFFFAOYSA-N
XLogP-0.04
TPSA41.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl oxaziridine-2-carboxylate?
The IUPAC name of methyl oxaziridine-2-carboxylate (CID 154013211) is methyl oxaziridine-2-carboxylate.
What is the SMILES notation for methyl oxaziridine-2-carboxylate?
The canonical SMILES for methyl oxaziridine-2-carboxylate is COC(=O)N1CO1.
What is the InChIKey of methyl oxaziridine-2-carboxylate?
The InChIKey is AYIMQNVACLTHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3/c1-6-3(5)4-2-7-4/h2H2,1H3.
What are the key properties of methyl oxaziridine-2-carboxylate?
methyl oxaziridine-2-carboxylate has a molecular weight of 103.08 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl oxaziridine-2-carboxylate is sourced from PubChem (CID 154013211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).