tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate

C12H17NO4 — CID 53439643

IUPACtert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)(c2ccco2)C1
InChIInChI=1S/C12H17NO4/c1-11(2,3)17-10(14)13-7-12(15,8-13)9-5-4-6-16-9/h4-6,15H,7-8H2,1-3H3
InChIKeyCFMRNTZAZJNZLY-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.72
Rot. Bonds1

About tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate

tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate (PubChem CID 53439643) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate
PubChem CID53439643
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nametert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)(c2ccco2)C1
InChIInChI=1S/C12H17NO4/c1-11(2,3)17-10(14)13-7-12(15,8-13)9-5-4-6-16-9/h4-6,15H,7-8H2,1-3H3
InChIKeyCFMRNTZAZJNZLY-UHFFFAOYSA-N
XLogP1.72
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
tert-butyl 3-(2-fluoro-3-methoxyphenyl)-3-hydroxyazetidine-1-carboxylate
CID 82791697
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
tert-butyl 3-(6-bromo-2-pyridinyl)-3-hydroxyazetidine-1-carboxylate
CID 155978021
tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 134231147
tert-butyl 3-(3,4-dihydro-2H-pyran-6-yl)-3-hydroxyazetidine-1-carboxylate
CID 102646604
2-[3-[2-(furan-2-yl)ethylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107142416
tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate
CID 82020206
furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
CID 6989299
tert-butyl 3-hydroxy-3-quinolin-3-ylazetidine-1-carboxylate
CID 103695996
tert-butyl 3-hydroxy-3-[3-(2-methylpropyl)phenyl]azetidine-1-carboxylate
CID 104890831
tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 170985255

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate (CID 53439643) is tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O)(c2ccco2)C1.
What is the InChIKey of tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate?
The InChIKey is CFMRNTZAZJNZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-11(2,3)17-10(14)13-7-12(15,8-13)9-5-4-6-16-9/h4-6,15H,7-8H2,1-3H3.
What are the key properties of tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate?
tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(furan-2-yl)-3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 53439643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).