tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate

C14H23NO6 — CID 10017736

IUPACtert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate
SMILESC=C[C@@H]1OC(=O)O[C@@H]1[C@@H](COC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO6/c1-7-10-11(20-13(17)19-10)9(8-18-6)15(5)12(16)21-14(2,3)4/h7,9-11H,1,8H2,2-6H3/t9-,10+,11-/m1/s1
InChIKeySDFAXGWNKQUVOF-OUAUKWLOSA-N
MW301.34 g/mol
LogP1.96
Rot. Bonds5

About tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate

tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate (PubChem CID 10017736) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate
PubChem CID10017736
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Nametert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate
SMILESC=C[C@@H]1OC(=O)O[C@@H]1[C@@H](COC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO6/c1-7-10-11(20-13(17)19-10)9(8-18-6)15(5)12(16)21-14(2,3)4/h7,9-11H,1,8H2,2-6H3/t9-,10+,11-/m1/s1
InChIKeySDFAXGWNKQUVOF-OUAUKWLOSA-N
XLogP1.96
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4S)-4-[(2S,3R)-3-ethenyloxiran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11129346
(4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one
CID 11065411
(1R,2R,6R,7Z)-4,4-dimethyl-3,5,13-trioxa-11-azatricyclo[9.3.0.02,6]tetradec-7-en-12-one
CID 11791272
tert-butyl (4S)-4-[(4S,5R)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11846583
tert-butyl N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]-N-prop-2-enylcarbamate
CID 45101551
tert-butyl (4R)-4-[(4S,5R)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 90987068
tert-butyl N-but-3-enyl-N-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 135030709
tert-butyl N-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N-prop-2-enylcarbamate
CID 135031111
tert-butyl (4S)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11484227
Tert-butyl 2,2-dimethyl-5-(prop-2-enoxymethyl)-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 53804525
tert-butyl 4-[(2S,3R)-3-ethenyloxiran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 145844371
tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate
CID 10423418

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate (CID 10017736) is tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate is C=C[C@@H]1OC(=O)O[C@@H]1[C@@H](COC)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate?
The InChIKey is SDFAXGWNKQUVOF-OUAUKWLOSA-N. The full InChI is InChI=1S/C14H23NO6/c1-7-10-11(20-13(17)19-10)9(8-18-6)15(5)12(16)21-14(2,3)4/h7,9-11H,1,8H2,2-6H3/t9-,10+,11-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate?
tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate has a molecular weight of 301.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-methoxyethyl]-N-methylcarbamate is sourced from PubChem (CID 10017736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).