tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate

C22H37NO10 — CID 70919400

IUPACtert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)OCCC[C@@H]1[C@H](COC(=O)OC(C)(C)C)OC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H37NO10/c1-20(2,3)31-17(25)23-14(11-10-12-28-18(26)32-21(4,5)6)15(30-16(23)24)13-29-19(27)33-22(7,8)9/h14-15H,10-13H2,1-9H3/t14-,15+/m1/s1
InChIKeyVLWXKXXCYOTAOV-CABCVRRESA-N
MW475.54 g/mol
LogP4.79
Rot. Bonds6

About tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 70919400) has the molecular formula C22H37NO10 and a molecular weight of 475.54 g/mol. Its IUPAC name is tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID70919400
Molecular FormulaC22H37NO10
Molecular Weight475.54 g/mol
Exact Mass475.24
IUPAC Nametert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)OCCC[C@@H]1[C@H](COC(=O)OC(C)(C)C)OC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H37NO10/c1-20(2,3)31-17(25)23-14(11-10-12-28-18(26)32-21(4,5)6)15(30-16(23)24)13-29-19(27)33-22(7,8)9/h14-15H,10-13H2,1-9H3/t14-,15+/m1/s1
InChIKeyVLWXKXXCYOTAOV-CABCVRRESA-N
XLogP4.79
TPSA126.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate (CID 70919400) is tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)OCCC[C@@H]1[C@H](COC(=O)OC(C)(C)C)OC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is VLWXKXXCYOTAOV-CABCVRRESA-N. The full InChI is InChI=1S/C22H37NO10/c1-20(2,3)31-17(25)23-14(11-10-12-28-18(26)32-21(4,5)6)15(30-16(23)24)13-29-19(27)33-22(7,8)9/h14-15H,10-13H2,1-9H3/t14-,15+/m1/s1.
What are the key properties of tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 475.54 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 70919400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).