tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride

C8H16ClNO2 — CID 146049865

IUPACtert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2,3)11-7(10)6-4-5-9-6;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1
InChIKeyCQDYQCBDUKAIAM-FYZOBXCZSA-N
MW193.67 g/mol
LogP1.11
Rot. Bonds1

About tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride

tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride (PubChem CID 146049865) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
PubChem CID146049865
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Nametert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2,3)11-7(10)6-4-5-9-6;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1
InChIKeyCQDYQCBDUKAIAM-FYZOBXCZSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate
CID 96845258
tert-butyl 5-fluoropiperidine-2-carboxylate
CID 57018078
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 71748131
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl (2S)-2-(azetidin-2-yl)-2-hydroxyacetate
CID 67425861
3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22956955
tert-butyl 1,3-oxazolidine-4-carboxylate
CID 139927361
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
tert-butyl 4-pentylpiperazine-2-carboxylate
CID 175344444

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride?
The IUPAC name of tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride (CID 146049865) is tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride is CC(C)(C)OC(=O)[C@H]1CCN1.Cl.
What is the InChIKey of tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride?
The InChIKey is CQDYQCBDUKAIAM-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-8(2,3)11-7(10)6-4-5-9-6;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1.
What are the key properties of tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride?
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 146049865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).