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

C16H27NO8 — CID 10316522

IUPACtert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C[C@H](C1OCOO1)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO8/c1-15(2,3)24-14(19)17-11(8-22-16(17,4)5)10(7-12(18)20-6)13-21-9-23-25-13/h10-11,13H,7-9H2,1-6H3/t10-,11-,13?/m0/s1
InChIKeyPOAKLNIXOGVSEP-WAQLSPKVSA-N
MW361.39 g/mol
LogP1.80
Rot. Bonds4

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

tert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10316522) has the molecular formula C16H27NO8 and a molecular weight of 361.39 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10316522
Molecular FormulaC16H27NO8
Molecular Weight361.39 g/mol
Exact Mass361.17
IUPAC Nametert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C[C@H](C1OCOO1)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO8/c1-15(2,3)24-14(19)17-11(8-22-16(17,4)5)10(7-12(18)20-6)13-21-9-23-25-13/h10-11,13H,7-9H2,1-6H3/t10-,11-,13?/m0/s1
InChIKeyPOAKLNIXOGVSEP-WAQLSPKVSA-N
XLogP1.80
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

tert-butyl 4-(4-methoxy-4-oxobutan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14523069
tert-butyl (4R)-4-[(1S)-1-hydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11392503
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11449120
tert-butyl (4S)-4-[(1S,2S)-1,2-dihydroxy-3-methoxy-2-methyl-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15344420
tert-butyl 4-[(E,2R)-3-(hydroxymethyl)pent-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102308156
tert-butyl (4R)-4-[(1R)-1,2-dimethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 171108497
tert-butyl (4R)-2,2-dimethyl-4-[1-(methylamino)-3-oxopropyl]-1,3-oxazolidine-3-carboxylate
CID 88860361
[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-hydroxymethyl]-trifluoroboranuide
CID 135003670
tert-butyl (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10491379
tert-butyl (4S)-4-[(S)-cyano(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11065036
tert-butyl 4-[(2S)-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118469598
tert-butyl 4-[(3-methoxy-3-oxopropoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 146218256

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10316522) is tert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)C[C@H](C1OCOO1)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is POAKLNIXOGVSEP-WAQLSPKVSA-N. The full InChI is InChI=1S/C16H27NO8/c1-15(2,3)24-14(19)17-11(8-22-16(17,4)5)10(7-12(18)20-6)13-21-9-23-25-13/h10-11,13H,7-9H2,1-6H3/t10-,11-,13?/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 361.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1S)-3-methoxy-3-oxo-1-(1,2,4-trioxolan-3-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10316522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).