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

C14H24N2O7 — CID 139301437

IUPACbis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate
SMILESCC1(C)COC(OC(=O)CC(O)C(=O)OC2NC(C)(C)CO2)N1
InChIInChI=1S/C14H24N2O7/c1-13(2)6-20-11(15-13)22-9(18)5-8(17)10(19)23-12-16-14(3,4)7-21-12/h8,11-12,15-17H,5-7H2,1-4H3
InChIKeyDZMKUCIRJNNNAX-UHFFFAOYSA-N
MW332.35 g/mol
LogP-0.81
Rot. Bonds5

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

bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate (PubChem CID 139301437) has the molecular formula C14H24N2O7 and a molecular weight of 332.35 g/mol. Its IUPAC name is bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate.

Molecular Properties

Compound Namebis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate
PubChem CID139301437
Molecular FormulaC14H24N2O7
Molecular Weight332.35 g/mol
Exact Mass332.16
IUPAC Namebis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate
SMILESCC1(C)COC(OC(=O)CC(O)C(=O)OC2NC(C)(C)CO2)N1
InChIInChI=1S/C14H24N2O7/c1-13(2)6-20-11(15-13)22-9(18)5-8(17)10(19)23-12-16-14(3,4)7-21-12/h8,11-12,15-17H,5-7H2,1-4H3
InChIKeyDZMKUCIRJNNNAX-UHFFFAOYSA-N
XLogP-0.81
TPSA115.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate?
The IUPAC name of bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate (CID 139301437) is bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate.
What is the SMILES notation for bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate?
The canonical SMILES for bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate is CC1(C)COC(OC(=O)CC(O)C(=O)OC2NC(C)(C)CO2)N1.
What is the InChIKey of bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate?
The InChIKey is DZMKUCIRJNNNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O7/c1-13(2)6-20-11(15-13)22-9(18)5-8(17)10(19)23-12-16-14(3,4)7-21-12/h8,11-12,15-17H,5-7H2,1-4H3.
What are the key properties of bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate?
bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate has a molecular weight of 332.35 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,4-dimethyl-1,3-oxazolidin-2-yl) 2-hydroxybutanedioate is sourced from PubChem (CID 139301437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).