tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride

C9H19ClN2O2 — CID 46738175

IUPACtert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride
SMILESCNC1CN(C(=O)OC(C)(C)C)C1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-5-7(6-11)10-4;/h7,10H,5-6H2,1-4H3;1H
InChIKeyWMQSDINBYLHPTJ-UHFFFAOYSA-N
MW222.72 g/mol
LogP1.25
Rot. Bonds1

About tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride

tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride (PubChem CID 46738175) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride
PubChem CID46738175
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Nametert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride
SMILESCNC1CN(C(=O)OC(C)(C)C)C1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-5-7(6-11)10-4;/h7,10H,5-6H2,1-4H3;1H
InChIKeyWMQSDINBYLHPTJ-UHFFFAOYSA-N
XLogP1.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride (CID 46738175) is tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride is CNC1CN(C(=O)OC(C)(C)C)C1.Cl.
What is the InChIKey of tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride?
The InChIKey is WMQSDINBYLHPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-5-7(6-11)10-4;/h7,10H,5-6H2,1-4H3;1H.
What are the key properties of tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride?
tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methylamino)azetidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 46738175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).