tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate

C11H19NO4 — CID 77421281

IUPACtert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
SMILESCOC(=O)CC1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(12)7-9(13)15-4/h8H,5-7H2,1-4H3
InChIKeyJZUYTENKZRHCGQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds2

About tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate

tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate (PubChem CID 77421281) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
PubChem CID77421281
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
SMILESCOC(=O)CC1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(12)7-9(13)15-4/h8H,5-7H2,1-4H3
InChIKeyJZUYTENKZRHCGQ-UHFFFAOYSA-N
XLogP1.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ditert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1,4-dicarboxylate
CID 4055116
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
tert-butyl (2R,4S)-4-amino-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 124662507
tert-butyl 4-(2-methoxy-2-oxoethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 117045648
tert-butyl 4-fluoro-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 75217731
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
CID 143769589
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate
CID 67107599
ditert-butyl (2S,5S)-5-(2-methoxy-2-oxoethyl)pyrrolidine-1,2-dicarboxylate
CID 167395986

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate (CID 77421281) is tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate is COC(=O)CC1CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate?
The InChIKey is JZUYTENKZRHCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(12)7-9(13)15-4/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate?
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate is sourced from PubChem (CID 77421281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).