tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C17H29NO7 — CID 90075024

IUPACtert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO7/c1-15(2,3)25-14(20)18-10(9-22-16(18,4)5)11-12(13(19)21-8)24-17(6,7)23-11/h10-12H,9H2,1-8H3/t10-,11-,12-/m1/s1
InChIKeyLVMYJJISNOZNRK-IJLUTSLNSA-N
MW359.42 g/mol
LogP2.05
Rot. Bonds2

About tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 90075024) has the molecular formula C17H29NO7 and a molecular weight of 359.42 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID90075024
Molecular FormulaC17H29NO7
Molecular Weight359.42 g/mol
Exact Mass359.19
IUPAC Nametert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO7/c1-15(2,3)25-14(20)18-10(9-22-16(18,4)5)11-12(13(19)21-8)24-17(6,7)23-11/h10-12H,9H2,1-8H3/t10-,11-,12-/m1/s1
InChIKeyLVMYJJISNOZNRK-IJLUTSLNSA-N
XLogP2.05
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 90075024) is tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is LVMYJJISNOZNRK-IJLUTSLNSA-N. The full InChI is InChI=1S/C17H29NO7/c1-15(2,3)25-14(20)18-10(9-22-16(18,4)5)11-12(13(19)21-8)24-17(6,7)23-11/h10-12H,9H2,1-8H3/t10-,11-,12-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 359.42 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(4R,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 90075024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).