methyl 2-oxoazetidine-1-carboxylate

C5H7NO3 — CID 14382434

IUPACmethyl 2-oxoazetidine-1-carboxylate
SMILESCOC(=O)N1CCC1=O
InChIInChI=1S/C5H7NO3/c1-9-5(8)6-3-2-4(6)7/h2-3H2,1H3
InChIKeyVEQWAXXIXFFEQB-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.01
Rot. Bonds

About methyl 2-oxoazetidine-1-carboxylate

methyl 2-oxoazetidine-1-carboxylate (PubChem CID 14382434) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is methyl 2-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxoazetidine-1-carboxylate
PubChem CID14382434
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Namemethyl 2-oxoazetidine-1-carboxylate
SMILESCOC(=O)N1CCC1=O
InChIInChI=1S/C5H7NO3/c1-9-5(8)6-3-2-4(6)7/h2-3H2,1H3
InChIKeyVEQWAXXIXFFEQB-UHFFFAOYSA-N
XLogP-0.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxoazetidine-1-carboxylate?
The IUPAC name of methyl 2-oxoazetidine-1-carboxylate (CID 14382434) is methyl 2-oxoazetidine-1-carboxylate.
What is the SMILES notation for methyl 2-oxoazetidine-1-carboxylate?
The canonical SMILES for methyl 2-oxoazetidine-1-carboxylate is COC(=O)N1CCC1=O.
What is the InChIKey of methyl 2-oxoazetidine-1-carboxylate?
The InChIKey is VEQWAXXIXFFEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-9-5(8)6-3-2-4(6)7/h2-3H2,1H3.
What are the key properties of methyl 2-oxoazetidine-1-carboxylate?
methyl 2-oxoazetidine-1-carboxylate has a molecular weight of 129.11 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxoazetidine-1-carboxylate is sourced from PubChem (CID 14382434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).