tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate

C12H21NO4 — CID 10399527

IUPACtert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@@H]1OC(OC)N(C(=O)OC(C)(C)C)[C@H]1C
InChIInChI=1S/C12H21NO4/c1-7-9-8(2)13(11(15-6)16-9)10(14)17-12(3,4)5/h7-9,11H,1H2,2-6H3/t8-,9-,11?/m0/s1
InChIKeyPTBRQBJJPCSMGR-HBEAOTSJSA-N
MW243.30 g/mol
LogP2.13
Rot. Bonds2

About tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10399527) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate
PubChem CID10399527
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@@H]1OC(OC)N(C(=O)OC(C)(C)C)[C@H]1C
InChIInChI=1S/C12H21NO4/c1-7-9-8(2)13(11(15-6)16-9)10(14)17-12(3,4)5/h7-9,11H,1H2,2-6H3/t8-,9-,11?/m0/s1
InChIKeyPTBRQBJJPCSMGR-HBEAOTSJSA-N
XLogP2.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Boc-5-vinyl-2-oxazolidinone
CID 21670461
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 (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134859983
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 N-[(2S)-2-(methoxymethoxy)but-3-enyl]-N-prop-2-enylcarbamate
CID 16038155
tert-butyl N-[2-(methoxymethoxy)but-3-enyl]-N-prop-2-enylcarbamate
CID 73223434
5-Ethenyl-3,4-dimethyl-1,3-oxazolidin-2-one
CID 75041717
tert-butyl (4S)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 121380685
tert-butyl (4S)-4-(1-hydroxyprop-2-enyl)-2,2-dimethoxy-1,3-oxazolidine-3-carboxylate
CID 177252161
Tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate
CID 10014045

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate (CID 10399527) is tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate is C=C[C@@H]1OC(OC)N(C(=O)OC(C)(C)C)[C@H]1C.
What is the InChIKey of tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is PTBRQBJJPCSMGR-HBEAOTSJSA-N. The full InChI is InChI=1S/C12H21NO4/c1-7-9-8(2)13(11(15-6)16-9)10(14)17-12(3,4)5/h7-9,11H,1H2,2-6H3/t8-,9-,11?/m0/s1.
What are the key properties of tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10399527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).