tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C14H27NO4 — CID 11425794

IUPACtert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC[C@@](C)(O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-8-14(7,17)10-9-18-13(5,6)15(10)11(16)19-12(2,3)4/h10,17H,8-9H2,1-7H3/t10-,14-/m1/s1
InChIKeyMZKQDCVASWQJAA-QMTHXVAHSA-N
MW273.37 g/mol
LogP2.52
Rot. Bonds2

About tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11425794) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11425794
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC[C@@](C)(O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-8-14(7,17)10-9-18-13(5,6)15(10)11(16)19-12(2,3)4/h10,17H,8-9H2,1-7H3/t10-,14-/m1/s1
InChIKeyMZKQDCVASWQJAA-QMTHXVAHSA-N
XLogP2.52
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11425794) is tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC[C@@](C)(O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is MZKQDCVASWQJAA-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H27NO4/c1-8-14(7,17)10-9-18-13(5,6)15(10)11(16)19-12(2,3)4/h10,17H,8-9H2,1-7H3/t10-,14-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 273.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11425794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).