methyl 3-ethylazetidine-3-carboxylate

C7H13NO2 — CID 130905049

IUPACmethyl 3-ethylazetidine-3-carboxylate
SMILESCCC1(C(=O)OC)CNC1
InChIInChI=1S/C7H13NO2/c1-3-7(4-8-5-7)6(9)10-2/h8H,3-5H2,1-2H3
InChIKeyXQSVMKHYYQNAII-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds2

About methyl 3-ethylazetidine-3-carboxylate

methyl 3-ethylazetidine-3-carboxylate (PubChem CID 130905049) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 3-ethylazetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethylazetidine-3-carboxylate
PubChem CID130905049
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 3-ethylazetidine-3-carboxylate
SMILESCCC1(C(=O)OC)CNC1
InChIInChI=1S/C7H13NO2/c1-3-7(4-8-5-7)6(9)10-2/h8H,3-5H2,1-2H3
InChIKeyXQSVMKHYYQNAII-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethylazetidine-3-carboxylate?
The IUPAC name of methyl 3-ethylazetidine-3-carboxylate (CID 130905049) is methyl 3-ethylazetidine-3-carboxylate.
What is the SMILES notation for methyl 3-ethylazetidine-3-carboxylate?
The canonical SMILES for methyl 3-ethylazetidine-3-carboxylate is CCC1(C(=O)OC)CNC1.
What is the InChIKey of methyl 3-ethylazetidine-3-carboxylate?
The InChIKey is XQSVMKHYYQNAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-7(4-8-5-7)6(9)10-2/h8H,3-5H2,1-2H3.
What are the key properties of methyl 3-ethylazetidine-3-carboxylate?
methyl 3-ethylazetidine-3-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethylazetidine-3-carboxylate is sourced from PubChem (CID 130905049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).