tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate

C11H17NO4 — CID 134966293

IUPACtert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate
SMILESC=C[C@H]1OC(=O)N[C@@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO4/c1-5-8-7(12-10(14)15-8)6-9(13)16-11(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,12,14)/t7-,8-/m1/s1
InChIKeySUOCJQPESGWNPS-HTQZYQBOSA-N
MW227.26 g/mol
LogP1.38
Rot. Bonds3

About tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate

tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate (PubChem CID 134966293) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate
PubChem CID134966293
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nametert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate
SMILESC=C[C@H]1OC(=O)N[C@@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO4/c1-5-8-7(12-10(14)15-8)6-9(13)16-11(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,12,14)/t7-,8-/m1/s1
InChIKeySUOCJQPESGWNPS-HTQZYQBOSA-N
XLogP1.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(5-ethenyl-2-oxooxolan-3-yl)carbamate
CID 336195
tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate
CID 11806785
tert-butyl (Z,3R)-4-acetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxododec-5-enoate
CID 134869377
tert-butyl N-[(2S,3R,4R)-2-ethenyl-5-oxo-4-prop-2-enyloxolan-3-yl]carbamate
CID 162414298
butyl N-(5-ethenyl-2-oxooxolan-3-yl)carbamate
CID 336196
prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate
CID 22956495
prop-2-enyl N-[(3S)-2-methyl-5-oxooxolan-3-yl]carbamate
CID 59457014
tert-butyl N-[(2R,3R)-5-oxo-2-prop-2-enyloxolan-3-yl]carbamate
CID 11746776
methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate
CID 15569858
tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate
CID 73083578
methyl N-[(3S,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate
CID 92266080
methyl N-[(3R,5S)-5-ethenyl-2-oxooxolan-3-yl]carbamate
CID 92266081

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate (CID 134966293) is tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate is C=C[C@H]1OC(=O)N[C@@H]1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate?
The InChIKey is SUOCJQPESGWNPS-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17NO4/c1-5-8-7(12-10(14)15-8)6-9(13)16-11(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,12,14)/t7-,8-/m1/s1.
What are the key properties of tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate?
tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate has a molecular weight of 227.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 134966293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).