tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C13H25NO4 — CID 11832131

IUPACtert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CCCO)COC1(C)C
InChIInChI=1S/C13H25NO4/c1-12(2,3)18-11(16)14-10(7-6-8-15)9-17-13(14,4)5/h10,15H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyJEPJZGUFARGBJH-SNVBAGLBSA-N
MW259.35 g/mol
LogP2.13
Rot. Bonds3

About tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11832131) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11832131
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nametert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CCCO)COC1(C)C
InChIInChI=1S/C13H25NO4/c1-12(2,3)18-11(16)14-10(7-6-8-15)9-17-13(14,4)5/h10,15H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyJEPJZGUFARGBJH-SNVBAGLBSA-N
XLogP2.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.13
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-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11832131) is tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](CCCO)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JEPJZGUFARGBJH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H25NO4/c1-12(2,3)18-11(16)14-10(7-6-8-15)9-17-13(14,4)5/h10,15H,6-9H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11832131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).