methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate

C12H22N2O2 — CID 105421155

IUPACmethyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CC1(N(C)C)CCC1
InChIInChI=1S/C12H22N2O2/c1-13(2)12(6-4-7-12)9-14-8-5-10(14)11(15)16-3/h10H,4-9H2,1-3H3
InChIKeyIBOHSFXMVHIIHW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.72
Rot. Bonds4

About methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate

methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate (PubChem CID 105421155) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate
PubChem CID105421155
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CC1(N(C)C)CCC1
InChIInChI=1S/C12H22N2O2/c1-13(2)12(6-4-7-12)9-14-8-5-10(14)11(15)16-3/h10H,4-9H2,1-3H3
InChIKeyIBOHSFXMVHIIHW-UHFFFAOYSA-N
XLogP0.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate?
The IUPAC name of methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate (CID 105421155) is methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate?
The canonical SMILES for methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate is COC(=O)C1CCN1CC1(N(C)C)CCC1.
What is the InChIKey of methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate?
The InChIKey is IBOHSFXMVHIIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13(2)12(6-4-7-12)9-14-8-5-10(14)11(15)16-3/h10H,4-9H2,1-3H3.
What are the key properties of methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate?
methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[1-(dimethylamino)cyclobutyl]methyl]azetidine-2-carboxylate is sourced from PubChem (CID 105421155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).