tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate

C10H19NO4 — CID 24801405

IUPACtert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CO)(CO)C1
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-4-10(5-11,6-12)7-13/h12-13H,4-7H2,1-3H3
InChIKeyGAXAFYOXCGGDFH-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.21
Rot. Bonds2

About tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate

tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate (PubChem CID 24801405) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate
PubChem CID24801405
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CO)(CO)C1
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-4-10(5-11,6-12)7-13/h12-13H,4-7H2,1-3H3
InChIKeyGAXAFYOXCGGDFH-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3,3-bis(hydroxymethyl)azetidine-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 3-(hydroxymethyl)azetidine-1-carboxylate
CID 10583745
tert-Butyl (3-hydroxypropyl)methylcarbamate
CID 10375241
1-Boc-3-fluoroazetidine-3-methanol
CID 25260281
1,1-Dimethylethyl 3-cyano-3-(hydroxymethyl)-1-azetidinecarboxylate
CID 58438953
1-[(Tert-butoxy)carbonyl]-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 59569585
tert-Butyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate
CID 70700778
Carbamic acid, N-((3-(hydroxymethyl)-3-oxetanyl)methyl)-, 1,1-dimethylethyl ester
CID 74788492
tert-butyl N-((tert-butoxy)carbonyl)-N-(3-hydroxypropyl)carbamate
CID 86617883
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
Tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate
CID 91758945
Tert-butyl 3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxylate
CID 117775952
1-Tert-butyl 3-methyl 3-(hydroxymethyl)azetidine-1,3-dicarboxylate
CID 134818853

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate (CID 24801405) is tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CO)(CO)C1.
What is the InChIKey of tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate?
The InChIKey is GAXAFYOXCGGDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-4-10(5-11,6-12)7-13/h12-13H,4-7H2,1-3H3.
What are the key properties of tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate?
tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate has a molecular weight of 217.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 24801405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).