bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate

C14H24N2O8 — CID 139301563

IUPACbis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate
SMILESCC1(C)COC(OC(=O)C(O)C(O)C(=O)OC2NC(C)(C)CO2)N1
InChIInChI=1S/C14H24N2O8/c1-13(2)5-21-11(15-13)23-9(19)7(17)8(18)10(20)24-12-16-14(3,4)6-22-12/h7-8,11-12,15-18H,5-6H2,1-4H3
InChIKeyOOEFARJJMPGXOA-UHFFFAOYSA-N
MW348.35 g/mol
LogP-1.84
Rot. Bonds5

About bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate

bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate (PubChem CID 139301563) has the molecular formula C14H24N2O8 and a molecular weight of 348.35 g/mol. Its IUPAC name is bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate
PubChem CID139301563
Molecular FormulaC14H24N2O8
Molecular Weight348.35 g/mol
Exact Mass348.15
IUPAC Namebis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate
SMILESCC1(C)COC(OC(=O)C(O)C(O)C(=O)OC2NC(C)(C)CO2)N1
InChIInChI=1S/C14H24N2O8/c1-13(2)5-21-11(15-13)23-9(19)7(17)8(18)10(20)24-12-16-14(3,4)6-22-12/h7-8,11-12,15-18H,5-6H2,1-4H3
InChIKeyOOEFARJJMPGXOA-UHFFFAOYSA-N
XLogP-1.84
TPSA135.58 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate?
The IUPAC name of bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate (CID 139301563) is bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate.
What is the SMILES notation for bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate?
The canonical SMILES for bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate is CC1(C)COC(OC(=O)C(O)C(O)C(=O)OC2NC(C)(C)CO2)N1.
What is the InChIKey of bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate?
The InChIKey is OOEFARJJMPGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O8/c1-13(2)5-21-11(15-13)23-9(19)7(17)8(18)10(20)24-12-16-14(3,4)6-22-12/h7-8,11-12,15-18H,5-6H2,1-4H3.
What are the key properties of bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate?
bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate has a molecular weight of 348.35 g/mol, XLogP of -1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2,3-dihydroxybutanedioate is sourced from PubChem (CID 139301563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).