tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate

C10H19NO3 — CID 140904862

IUPACtert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate
SMILESC[C@H]1[C@H](CO)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7-8(6-12)5-11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyGCKYULDQJWNXBA-YUMQZZPRSA-N
MW201.27 g/mol
LogP1.23
Rot. Bonds1

About tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate

tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate (PubChem CID 140904862) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate
PubChem CID140904862
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate
SMILESC[C@H]1[C@H](CO)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7-8(6-12)5-11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyGCKYULDQJWNXBA-YUMQZZPRSA-N
XLogP1.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate 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 (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate
CID 175568283
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
tert-butyl (1R,5S)-7-(hydroxymethyl)-2,8-dimethyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 83826025
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 93077844
(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 169449252
ethane;2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 178026408
ditert-butyl (2R,5S)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
CID 162711929
tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 130614753
tert-butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 118798039

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate (CID 140904862) is tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate is C[C@H]1[C@H](CO)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate?
The InChIKey is GCKYULDQJWNXBA-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-8(6-12)5-11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate?
tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate is sourced from PubChem (CID 140904862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).