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

C9H17NO6 — CID 139301434

IUPAC4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid
SMILESCC1(C)COCN1.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C5H11NO.C4H6O5/c1-5(2)3-7-4-6-5;5-2(4(8)9)1-3(6)7/h6H,3-4H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyMNXAHHGIPLOOAO-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.75
Rot. Bonds3

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

4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid (PubChem CID 139301434) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid.

Molecular Properties

Compound Name4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid
PubChem CID139301434
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid
SMILESCC1(C)COCN1.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C5H11NO.C4H6O5/c1-5(2)3-7-4-6-5;5-2(4(8)9)1-3(6)7/h6H,3-4H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyMNXAHHGIPLOOAO-UHFFFAOYSA-N
XLogP-0.75
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid?
The IUPAC name of 4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid (CID 139301434) is 4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid.
What is the SMILES notation for 4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid?
The canonical SMILES for 4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid is CC1(C)COCN1.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid?
The InChIKey is MNXAHHGIPLOOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C4H6O5/c1-5(2)3-7-4-6-5;5-2(4(8)9)1-3(6)7/h6H,3-4H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid?
4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid has a molecular weight of 235.24 g/mol, XLogP of -0.75, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,3-oxazolidine;2-hydroxybutanedioic acid is sourced from PubChem (CID 139301434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).