tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate

C11H17NO4 — CID 142783710

IUPACtert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate
SMILESCOC(=O)/C=C1/CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-6-5-8(12)7-9(13)15-4/h7H,5-6H2,1-4H3/b8-7-
InChIKeyUFQBFESQNRGBTH-FPLPWBNLSA-N
MW227.26 g/mol
LogP1.68
Rot. Bonds1

About tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate

tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate (PubChem CID 142783710) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate
PubChem CID142783710
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nametert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate
SMILESCOC(=O)/C=C1/CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-6-5-8(12)7-9(13)15-4/h7H,5-6H2,1-4H3/b8-7-
InChIKeyUFQBFESQNRGBTH-FPLPWBNLSA-N
XLogP1.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (9E)-9-(2-methoxy-2-oxoethylidene)-8-azaspiro[4.5]decane-8-carboxylate
CID 162398571
tert-butyl 2-[(tert-butylsulfinylamino)methylidene]pyrrolidine-1-carboxylate
CID 91380690
tert-butyl 5-(2-methoxy-2-oxoethylidene)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 175435556
tert-butyl 5-formyl-4-propan-2-yl-2,3-dihydropyrrole-1-carboxylate
CID 123425899
tert-butyl 8-(3-methoxy-3-oxoprop-1-enyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 68523765
tert-butyl 4-(hydroxymethyl)-5-methyl-2,3-dihydropyrrole-1-carboxylate
CID 132527370
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-azete-4-carboxylic acid
CID 167718053
tert-butyl 5-amino-4-[(Z)-2-aminoprop-1-enyl]-2,3-dihydropyrrole-1-carboxylate
CID 146595398
tert-butyl (2S)-4-(2-methoxy-2-oxoethylidene)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 59681849
tert-butyl (2S,5E)-1-benzyl-5-(2-methoxy-2-oxoethylidene)pyrrolidine-2-carboxylate
CID 11056641
tert-butyl 4-[(E)-3-methoxy-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 114518397
tert-butyl 5-methyl-4-(trifluoromethylsulfonyloxy)-2,3-dihydropyrrole-1-carboxylate
CID 168877214

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate (CID 142783710) is tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate is COC(=O)/C=C1/CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate?
The InChIKey is UFQBFESQNRGBTH-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-6-5-8(12)7-9(13)15-4/h7H,5-6H2,1-4H3/b8-7-.
What are the key properties of tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate?
tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate is sourced from PubChem (CID 142783710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).