tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

C13H25NO5 — CID 11471354

IUPACtert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1[C@@H](C(O)CO)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-8-10(9(16)7-15)18-13(5,6)14(8)11(17)19-12(2,3)4/h8-10,15-16H,7H2,1-6H3/t8-,9?,10+/m1/s1
InChIKeyMVGXYSCTQXNXMZ-FIBVVXLUSA-N
MW275.34 g/mol
LogP1.10
Rot. Bonds2

About tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11471354) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11471354
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Nametert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1[C@@H](C(O)CO)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-8-10(9(16)7-15)18-13(5,6)14(8)11(17)19-12(2,3)4/h8-10,15-16H,7H2,1-6H3/t8-,9?,10+/m1/s1
InChIKeyMVGXYSCTQXNXMZ-FIBVVXLUSA-N
XLogP1.10
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

(S)-4-((S)-2-hydroxy-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid t-butyl ester
CID 59173108
tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10944693
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate
CID 20648577
tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11832131
rac-tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate
CID 14948608
rac-tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 39871810
1,1-Dimethylethyl 4-(hydroxymethyl)-2,2,5-trimethyl-3-oxazolidinecarboxylate
CID 43810964
1,1-Dimethylethyl (2S,4S)-2-(hydroxymethyl)-4-methoxy-1-pyrrolidinecarboxylate
CID 58985023
Tert-butyl (2r,4r)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 67223196
tert-butyl (2R,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate
CID 90793086
Tert-butyl 3-(hydroxymethyl)-3-methoxypyrrolidine-1-carboxylate
CID 105489501
5-Ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
CID 5133684

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (CID 11471354) is tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is C[C@@H]1[C@@H](C(O)CO)OC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is MVGXYSCTQXNXMZ-FIBVVXLUSA-N. The full InChI is InChI=1S/C13H25NO5/c1-8-10(9(16)7-15)18-13(5,6)14(8)11(17)19-12(2,3)4/h8-10,15-16H,7H2,1-6H3/t8-,9?,10+/m1/s1.
What are the key properties of tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 275.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11471354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).