tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H27NO5 — CID 10881155

IUPACtert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C[C@H](C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-10(8-12(17)19-7)11-9-20-15(5,6)16(11)13(18)21-14(2,3)4/h10-11H,8-9H2,1-7H3/t10-,11-/m0/s1
InChIKeyXZVSCLBFKZVCAY-QWRGUYRKSA-N
MW301.38 g/mol
LogP2.56
Rot. Bonds3

About tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10881155) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10881155
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Nametert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C[C@H](C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-10(8-12(17)19-7)11-9-20-15(5,6)16(11)13(18)21-14(2,3)4/h10-11H,8-9H2,1-7H3/t10-,11-/m0/s1
InChIKeyXZVSCLBFKZVCAY-QWRGUYRKSA-N
XLogP2.56
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

(2S)-1-tert-Butyl 2-ethyl 5-methoxypyrrolidine-1,2-dicarboxylate
CID 10445972
Tert-butyl 4-(4-methoxy-4-oxobutan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14523069
(S)-3-(3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidin-4-yl)propanoic acid
CID 10635974
Tert-butyl (4S)-2,2-dimethyl-4-(3-oxopropyl)-1,3-oxazolidine-3-carboxylate
CID 10923184
tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)morpholine-4-carboxylate
CID 122484559
Tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 72806404
tert-butyl (4R)-4-(3-ethoxy-2-fluoro-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223848
tert-butyl (4R)-2,2-dimethyl-4-[(3S)-1,1,1-trifluoro-5-oxopentan-3-yl]-1,3-oxazolidine-3-carboxylate
CID 176319644
tert-butyl (4R)-4-[(2R)-3-ethoxy-2-fluoro-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176649765
(S)-Di-tert-butyl 5-methoxypyrrolidine-1,2-dicarboxylate
CID 10424951
tert-butyl (4R)-4-[(2R,3R)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10925919
tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10936794

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10881155) is tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)C[C@H](C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is XZVSCLBFKZVCAY-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H27NO5/c1-10(8-12(17)19-7)11-9-20-15(5,6)16(11)13(18)21-14(2,3)4/h10-11H,8-9H2,1-7H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 301.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(2S)-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10881155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).