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

C13H23NO4 — CID 11448264

IUPACtert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate
SMILESCCC(=O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-7-10(15)9-8-17-13(5,6)14(9)11(16)18-12(2,3)4/h9H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyWEUWWTDIYQIRBX-SECBINFHSA-N
MW257.33 g/mol
LogP2.34
Rot. Bonds2

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

tert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11448264) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate
PubChem CID11448264
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate
SMILESCCC(=O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-7-10(15)9-8-17-13(5,6)14(9)11(16)18-12(2,3)4/h9H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyWEUWWTDIYQIRBX-SECBINFHSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate (CID 11448264) is tert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate is CCC(=O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is WEUWWTDIYQIRBX-SECBINFHSA-N. The full InChI is InChI=1S/C13H23NO4/c1-7-10(15)9-8-17-13(5,6)14(9)11(16)18-12(2,3)4/h9H,7-8H2,1-6H3/t9-/m1/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11448264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).