tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

C12H21NO4 — CID 15256325

IUPACtert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
SMILESCCOC(=O)CC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyHTYZZXUWPRCEIN-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.81
Rot. Bonds3

About tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate (PubChem CID 15256325) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
PubChem CID15256325
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
SMILESCCOC(=O)CC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyHTYZZXUWPRCEIN-UHFFFAOYSA-N
XLogP1.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-(Tert-butoxycarbonyl)azetidin-3-yl)acetic acid
CID 11095989
2-{1-[(Tert-butoxy)carbonyl]azetidin-3-yl}propanoic acid
CID 68209765
tert-Butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 53249565
tert-Butyl 3-(2-oxoethyl)azetidine-1-carboxylate
CID 53415272
Tert-butyl 3-(2-ethoxy-2-oxoethyl)-3-hydroxyazetidine-1-carboxylate
CID 118798523
Tert-butyl 3-(1-oxopropan-2-yl)azetidine-1-carboxylate
CID 83909851
2-(1-(Tert-butoxycarbonyl)azetidin-3-yl)-2-fluoroacetic acid
CID 112756270
Tert-butyl 3-(1-bromo-2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
CID 135392348
Potassium {1-[(tert-butoxy)carbonyl]-3-(2-ethoxy-2-oxoethyl)azetidin-3-yl}trifluoroboranuide
CID 165941873
Diethyl 2-(1-(tert-butoxycarbonyl)azetidin-3-yl)malonate
CID 11823210
1-tert-Butyl 3-ethyl azetidine-1,3-dicarboxylate
CID 53485131
(2S)-2-(1-tert-butoxycarbonylazetidin-3-yl)propanoic acid
CID 96802087

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate (CID 15256325) is tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate is CCOC(=O)CC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate?
The InChIKey is HTYZZXUWPRCEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate?
tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate is sourced from PubChem (CID 15256325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).