1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate

C10H17NO4 — CID 14821735

IUPAC1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate
SMILESCOC(=O)C1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-6-5-7(11)8(12)14-4/h7H,5-6H2,1-4H3
InChIKeyFGWUDHZVEBFGKS-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.17
Rot. Bonds1

About 1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate (PubChem CID 14821735) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate
PubChem CID14821735
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate
SMILESCOC(=O)C1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-6-5-7(11)8(12)14-4/h7H,5-6H2,1-4H3
InChIKeyFGWUDHZVEBFGKS-UHFFFAOYSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 14821736
1-[(Tert-butoxy)carbonyl]azetidine-2-carboxylic acid
CID 3623886
(2R)-1-[(tert-butoxy)carbonyl]azetidine-2-carboxylic acid
CID 7009128
(2S)-1-((tert-butoxy)carbonyl)azetidine-2-carboxylic acid
CID 2734495
1-[(Tert-butoxy)carbonyl]-2-methylazetidine-2-carboxylic acid
CID 21866332
1-((Tert-butoxy)carbonyl)-3-methylazetidine-2-carboxylic acid
CID 67222802
Tert-butyl 2-(methoxymethyl)-3-oxoazetidine-1-carboxylate
CID 122163584
rac-(2R,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid
CID 126721603
1-[(Tert-butoxy)carbonyl]-4-methylazetidine-2-carboxylic acid
CID 130003976
Methyl 1-butylazetidine-2-carboxylate
CID 4340163
rac-(2R,4S)-1-((tert-butoxy)carbonyl)-4-methylazetidine-2-carboxylic acid
CID 130942964
1-Tert-butyl 2-ethyl 3-oxoazetidine-1,2-dicarboxylate
CID 137944272

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate (CID 14821735) is 1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate is COC(=O)C1CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate?
The InChIKey is FGWUDHZVEBFGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-6-5-7(11)8(12)14-4/h7H,5-6H2,1-4H3.
What are the key properties of 1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl azetidine-1,2-dicarboxylate is sourced from PubChem (CID 14821735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).