methyl 2-(azetidin-1-yl)-2-oxoacetate

C6H9NO3 — CID 14677033

IUPACmethyl 2-(azetidin-1-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)N1CCC1
InChIInChI=1S/C6H9NO3/c1-10-6(9)5(8)7-3-2-4-7/h2-4H2,1H3
InChIKeyUXDUQMCIEYZMES-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.61
Rot. Bonds

About methyl 2-(azetidin-1-yl)-2-oxoacetate

methyl 2-(azetidin-1-yl)-2-oxoacetate (PubChem CID 14677033) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl 2-(azetidin-1-yl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(azetidin-1-yl)-2-oxoacetate
PubChem CID14677033
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl 2-(azetidin-1-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)N1CCC1
InChIInChI=1S/C6H9NO3/c1-10-6(9)5(8)7-3-2-4-7/h2-4H2,1H3
InChIKeyUXDUQMCIEYZMES-UHFFFAOYSA-N
XLogP-0.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(azetidin-1-yl)-2-oxoacetate?
The IUPAC name of methyl 2-(azetidin-1-yl)-2-oxoacetate (CID 14677033) is methyl 2-(azetidin-1-yl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(azetidin-1-yl)-2-oxoacetate?
The canonical SMILES for methyl 2-(azetidin-1-yl)-2-oxoacetate is COC(=O)C(=O)N1CCC1.
What is the InChIKey of methyl 2-(azetidin-1-yl)-2-oxoacetate?
The InChIKey is UXDUQMCIEYZMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-10-6(9)5(8)7-3-2-4-7/h2-4H2,1H3.
What are the key properties of methyl 2-(azetidin-1-yl)-2-oxoacetate?
methyl 2-(azetidin-1-yl)-2-oxoacetate has a molecular weight of 143.14 g/mol, XLogP of -0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(azetidin-1-yl)-2-oxoacetate is sourced from PubChem (CID 14677033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).