tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H27NO6 — CID 11109911

IUPACtert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H](O)[C@H](C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO6/c1-9(11(17)12(18)20-7)10-8-21-15(5,6)16(10)13(19)22-14(2,3)4/h9-11,17H,8H2,1-7H3/t9-,10+,11+/m1/s1
InChIKeyXESLUBZDLRIOJO-VWYCJHECSA-N
MW317.38 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11109911) has the molecular formula C15H27NO6 and a molecular weight of 317.38 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11109911
Molecular FormulaC15H27NO6
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Nametert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H](O)[C@H](C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO6/c1-9(11(17)12(18)20-7)10-8-21-15(5,6)16(10)13(19)22-14(2,3)4/h9-11,17H,8H2,1-7H3/t9-,10+,11+/m1/s1
InChIKeyXESLUBZDLRIOJO-VWYCJHECSA-N
XLogP1.53
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11109911) is tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@@H](O)[C@H](C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is XESLUBZDLRIOJO-VWYCJHECSA-N. The full InChI is InChI=1S/C15H27NO6/c1-9(11(17)12(18)20-7)10-8-21-15(5,6)16(10)13(19)22-14(2,3)4/h9-11,17H,8H2,1-7H3/t9-,10+,11+/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 317.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11109911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).