tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate

C10H19NO4 — CID 150244500

IUPACtert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate
SMILESCCOC1(O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19NO4/c1-5-14-10(13)6-11(7-10)8(12)15-9(2,3)4/h13H,5-7H2,1-4H3
InChIKeyFYFNBDOLWODHCT-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.96
Rot. Bonds2

About tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate

tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate (PubChem CID 150244500) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate
PubChem CID150244500
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate
SMILESCCOC1(O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19NO4/c1-5-14-10(13)6-11(7-10)8(12)15-9(2,3)4/h13H,5-7H2,1-4H3
InChIKeyFYFNBDOLWODHCT-UHFFFAOYSA-N
XLogP0.96
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(difluoromethyl)-3-hydroxyazetidine-1-carboxylate
CID 80605458
tert-butyl 6-(2-ethoxy-2-oxoethyl)sulfanyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 177337807
tert-butyl 3-amino-3-(aminomethyl)azetidine-1-carboxylate
CID 135393346
tert-butyl 3-ethyl-3-ethynylazetidine-1-carboxylate
CID 118798171
tert-butyl 3-(difluoromethyl)-3-formylazetidine-1-carboxylate
CID 178013714
tert-butyl 3-ethoxy-3-(4-propan-2-ylphenyl)azetidine-1-carboxylate
CID 146552213
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
1-O-tert-butyl 3-O-ethyl 3-(1-aminocyclopropyl)azetidine-1,3-dicarboxylate
CID 59558418
tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate
CID 171798737

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate (CID 150244500) is tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate is CCOC1(O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate?
The InChIKey is FYFNBDOLWODHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-14-10(13)6-11(7-10)8(12)15-9(2,3)4/h13H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate?
tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate has a molecular weight of 217.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 150244500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).