2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine

C9H17NO7 — CID 139301562

IUPAC2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine
SMILESCC1(C)COCN1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C5H11NO.C4H6O6/c1-5(2)3-7-4-6-5;5-1(3(7)8)2(6)4(9)10/h6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyKZSGNURETUOGQL-UHFFFAOYSA-N
MW251.23 g/mol
LogP-1.78
Rot. Bonds3

About 2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine

2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine (PubChem CID 139301562) has the molecular formula C9H17NO7 and a molecular weight of 251.23 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine
PubChem CID139301562
Molecular FormulaC9H17NO7
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine
SMILESCC1(C)COCN1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C5H11NO.C4H6O6/c1-5(2)3-7-4-6-5;5-1(3(7)8)2(6)4(9)10/h6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyKZSGNURETUOGQL-UHFFFAOYSA-N
XLogP-1.78
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 5-1.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine (CID 139301562) is 2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine is CC1(C)COCN1.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine?
The InChIKey is KZSGNURETUOGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C4H6O6/c1-5(2)3-7-4-6-5;5-1(3(7)8)2(6)4(9)10/h6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine?
2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine has a molecular weight of 251.23 g/mol, XLogP of -1.78, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;4,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 139301562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).