3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate

C12H21NO5 — CID 5138497

IUPAC3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3
InChIKeyZNBUXTFASGDVCL-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.53
Rot. Bonds1

About 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate

3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate (PubChem CID 5138497) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
PubChem CID5138497
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3
InChIKeyZNBUXTFASGDVCL-UHFFFAOYSA-N
XLogP1.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)-
CID 178792
3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (S)-(-)-
CID 179824
3-tert-butyl 4-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 688220
3-tert-Butyl 4-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 688221
4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
CID 2760133
(4S)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 6932187
(4S,5R)-3-[(tert-butoxy)carbonyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 10956272
tert-butyl (4S,5R)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10966732
3-tert-butyl 4-methyl (4S)-2,2-dioxo-1,2lambda6,3-oxathiazolidine-3,4-dicarboxylate
CID 46218532
Methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
CID 582488
(3S)-4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
CID 1512537
(3R)-4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
CID 1512538

Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate (CID 5138497) is 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate is COC(=O)C1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate?
The InChIKey is ZNBUXTFASGDVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3.
What are the key properties of 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate?
3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate has a molecular weight of 259.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 4-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate is sourced from PubChem (CID 5138497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).