tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate

C16H25NO7 — CID 10521312

IUPACtert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H](OC(=O)OC(C)(C)C)[C@H]1COC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO7/c1-8-11(22-14(20)24-16(5,6)7)10-9-21-12(18)17(10)13(19)23-15(2,3)4/h8,10-11H,1,9H2,2-7H3/t10-,11+/m1/s1
InChIKeyARNDIXFRELKLGX-MNOVXSKESA-N
MW343.38 g/mol
LogP3.25
Rot. Bonds3

About tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 10521312) has the molecular formula C16H25NO7 and a molecular weight of 343.38 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID10521312
Molecular FormulaC16H25NO7
Molecular Weight343.38 g/mol
Exact Mass343.16
IUPAC Nametert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H](OC(=O)OC(C)(C)C)[C@H]1COC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO7/c1-8-11(22-14(20)24-16(5,6)7)10-9-21-12(18)17(10)13(19)23-15(2,3)4/h8,10-11H,1,9H2,2-7H3/t10-,11+/m1/s1
InChIKeyARNDIXFRELKLGX-MNOVXSKESA-N
XLogP3.25
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 134860000
tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134835532
tert-butyl (4R)-2,2-dimethyl-4-[(1S)-1-prop-2-enoxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate
CID 134865983
tert-butyl (4R)-2,2-dimethyl-4-[(1R)-1-prop-2-enoxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate
CID 134865984
Tert-butyl(4r,5s)-4-[1-(acetyloxy)prop-2-en-1-yl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 58297744
tert-butyl (4S)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 121380685
tert-butyl (4S,5R)-5-ethenyl-4-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate
CID 140086818
tert-butyl (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-2-oxo-1,3-oxazolidine-3-carboxylate
CID 140086821
Tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-2-oxo-1,3-oxazolidine-3-carboxylate
CID 140086822
tert-butyl (4S)-4-(1-hydroxyprop-2-enyl)-2,2-dimethoxy-1,3-oxazolidine-3-carboxylate
CID 177252161
tert-butyl (4S,5S)-5-methyl-4-(prop-2-enoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 177768396
Tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate
CID 10014045

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate (CID 10521312) is tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate is C=C[C@H](OC(=O)OC(C)(C)C)[C@H]1COC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is ARNDIXFRELKLGX-MNOVXSKESA-N. The full InChI is InChI=1S/C16H25NO7/c1-8-11(22-14(20)24-16(5,6)7)10-9-21-12(18)17(10)13(19)23-15(2,3)4/h8,10-11H,1,9H2,2-7H3/t10-,11+/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10521312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).