methyl 1-acetylazetidine-2-carboxylate

C7H11NO3 — CID 22328398

IUPACmethyl 1-acetylazetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(C)=O
InChIInChI=1S/C7H11NO3/c1-5(9)8-4-3-6(8)7(10)11-2/h6H,3-4H2,1-2H3
InChIKeyUPOIUMRSONSICM-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.22
Rot. Bonds1

About methyl 1-acetylazetidine-2-carboxylate

methyl 1-acetylazetidine-2-carboxylate (PubChem CID 22328398) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 1-acetylazetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetylazetidine-2-carboxylate
PubChem CID22328398
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 1-acetylazetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(C)=O
InChIInChI=1S/C7H11NO3/c1-5(9)8-4-3-6(8)7(10)11-2/h6H,3-4H2,1-2H3
InChIKeyUPOIUMRSONSICM-UHFFFAOYSA-N
XLogP-0.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-acetylazetidine-2-carboxylate?
The IUPAC name of methyl 1-acetylazetidine-2-carboxylate (CID 22328398) is methyl 1-acetylazetidine-2-carboxylate.
What is the SMILES notation for methyl 1-acetylazetidine-2-carboxylate?
The canonical SMILES for methyl 1-acetylazetidine-2-carboxylate is COC(=O)C1CCN1C(C)=O.
What is the InChIKey of methyl 1-acetylazetidine-2-carboxylate?
The InChIKey is UPOIUMRSONSICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(9)8-4-3-6(8)7(10)11-2/h6H,3-4H2,1-2H3.
What are the key properties of methyl 1-acetylazetidine-2-carboxylate?
methyl 1-acetylazetidine-2-carboxylate has a molecular weight of 157.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetylazetidine-2-carboxylate is sourced from PubChem (CID 22328398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).