2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid

C11H19NO4 — CID 114990682

IUPAC2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid
SMILESCC(C)CCC(C)(C(=O)O)N1CCOC1=O
InChIInChI=1S/C11H19NO4/c1-8(2)4-5-11(3,9(13)14)12-6-7-16-10(12)15/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeySGORDCZDZWRPEF-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds5

About 2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid

2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid (PubChem CID 114990682) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid.

Molecular Properties

Compound Name2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid
PubChem CID114990682
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid
SMILESCC(C)CCC(C)(C(=O)O)N1CCOC1=O
InChIInChI=1S/C11H19NO4/c1-8(2)4-5-11(3,9(13)14)12-6-7-16-10(12)15/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeySGORDCZDZWRPEF-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid?
The IUPAC name of 2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid (CID 114990682) is 2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid.
What is the SMILES notation for 2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid?
The canonical SMILES for 2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid is CC(C)CCC(C)(C(=O)O)N1CCOC1=O.
What is the InChIKey of 2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid?
The InChIKey is SGORDCZDZWRPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(2)4-5-11(3,9(13)14)12-6-7-16-10(12)15/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid?
2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid is sourced from PubChem (CID 114990682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).