tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H27NO6 — CID 68862538

IUPACtert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C(O)CCC1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO6/c1-14(2,3)22-13(19)16-10(9-21-15(16,4)5)7-8-11(17)12(18)20-6/h10-11,17H,7-9H2,1-6H3
InChIKeyRHXXXMZRJXLJMB-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 68862538) has the molecular formula C15H27NO6 and a molecular weight of 317.38 g/mol. Its IUPAC name is tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID68862538
Molecular FormulaC15H27NO6
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Nametert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C(O)CCC1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO6/c1-14(2,3)22-13(19)16-10(9-21-15(16,4)5)7-8-11(17)12(18)20-6/h10-11,17H,7-9H2,1-6H3
InChIKeyRHXXXMZRJXLJMB-UHFFFAOYSA-N
XLogP1.67
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 68862538) is tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)C(O)CCC1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is RHXXXMZRJXLJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO6/c1-14(2,3)22-13(19)16-10(9-21-15(16,4)5)7-8-11(17)12(18)20-6/h10-11,17H,7-9H2,1-6H3.
What are the key properties of tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 317.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-hydroxy-4-methoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 68862538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).