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

C11H21NO3 — CID 178127390

IUPACtert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate
SMILESCCO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C
InChIInChI=1S/C11H21NO3/c1-6-14-9-7-12(8(9)2)10(13)15-11(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9+/m0/s1
InChIKeyFQHWBPVRRRJTFO-DTWKUNHWSA-N
MW215.29 g/mol
LogP2.03
Rot. Bonds2

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

tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate (PubChem CID 178127390) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate
PubChem CID178127390
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate
SMILESCCO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C
InChIInChI=1S/C11H21NO3/c1-6-14-9-7-12(8(9)2)10(13)15-11(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9+/m0/s1
InChIKeyFQHWBPVRRRJTFO-DTWKUNHWSA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,3R)-2-methyl-3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
CID 178126879
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate
CID 140904862
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
(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
tert-butyl (3S,4S)-3-amino-4-ethoxypyrrolidine-1-carboxylate
CID 27281446
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl 3-acetyl-2-methylazetidine-1-carboxylate
CID 122590400
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
(2S,4S)-4-ethoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 15222300

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate (CID 178127390) is tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate is CCO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C.
What is the InChIKey of tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate?
The InChIKey is FQHWBPVRRRJTFO-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-14-9-7-12(8(9)2)10(13)15-11(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate?
tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate is sourced from PubChem (CID 178127390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).