tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate

C10H19NO4 — CID 24801564

IUPACtert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO)C[C@H]1CO
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7(5-12)4-8(11)6-13/h7-8,12-13H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyZEVITVQAVGWZKZ-YUMQZZPRSA-N
MW217.26 g/mol
LogP0.35
Rot. Bonds2

About tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate

tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate (PubChem CID 24801564) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate
PubChem CID24801564
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO)C[C@H]1CO
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7(5-12)4-8(11)6-13/h7-8,12-13H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyZEVITVQAVGWZKZ-YUMQZZPRSA-N
XLogP0.35
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-tert-Butyl 2,4-bis(hydroxymethyl)azetidine-1-carboxylate
CID 24801409
tert-butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 10511797
(R)-1-Boc-2-azetidinemethanol
CID 11074142
tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11832131
Tert-butyl 2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 68813330
Tert-butyl 2-(hydroxymethyl)-2-methylazetidine-1-carboxylate
CID 71758129
Tert-butyl 2-(hydroxymethyl)-3,3-dimethylazetidine-1-carboxylate
CID 76058713
Tert-butyl 2-(hydroxymethyl)-3-methylazetidine-1-carboxylate
CID 76098000
Tert-butyl 2,2-bis(hydroxymethyl)azetidine-1-carboxylate
CID 146155140
Tert-butyl 1-(hydroxymethyl)-7-oxa-2-azaspiro(3.5)nonane-2-carboxylate
CID 155970391
Tert-butyl (4S)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10879805
Tert-butyl 3,3-difluoro-2-(hydroxymethyl)azetidine-1-carboxylate
CID 126970510

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate (CID 24801564) is tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1[C@H](CO)C[C@H]1CO.
What is the InChIKey of tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate?
The InChIKey is ZEVITVQAVGWZKZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7(5-12)4-8(11)6-13/h7-8,12-13H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate?
tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate has a molecular weight of 217.26 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 24801564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).