methyl 1-methylazetidine-3-carboxylate

C6H11NO2 — CID 22967068

IUPACmethyl 1-methylazetidine-3-carboxylate
SMILESCOC(=O)C1CN(C)C1
InChIInChI=1S/C6H11NO2/c1-7-3-5(4-7)6(8)9-2/h5H,3-4H2,1-2H3
InChIKeyDSCYSJZHNQSHCS-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.28
Rot. Bonds1

About methyl 1-methylazetidine-3-carboxylate

methyl 1-methylazetidine-3-carboxylate (PubChem CID 22967068) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 1-methylazetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methylazetidine-3-carboxylate
PubChem CID22967068
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 1-methylazetidine-3-carboxylate
SMILESCOC(=O)C1CN(C)C1
InChIInChI=1S/C6H11NO2/c1-7-3-5(4-7)6(8)9-2/h5H,3-4H2,1-2H3
InChIKeyDSCYSJZHNQSHCS-UHFFFAOYSA-N
XLogP-0.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methylazetidine-3-carboxylate?
The IUPAC name of methyl 1-methylazetidine-3-carboxylate (CID 22967068) is methyl 1-methylazetidine-3-carboxylate.
What is the SMILES notation for methyl 1-methylazetidine-3-carboxylate?
The canonical SMILES for methyl 1-methylazetidine-3-carboxylate is COC(=O)C1CN(C)C1.
What is the InChIKey of methyl 1-methylazetidine-3-carboxylate?
The InChIKey is DSCYSJZHNQSHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-3-5(4-7)6(8)9-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 1-methylazetidine-3-carboxylate?
methyl 1-methylazetidine-3-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylazetidine-3-carboxylate is sourced from PubChem (CID 22967068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).