4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C11H19NO4 — CID 19385104

IUPAC4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)(C)C(=O)C1COC(C)(C)N1C(=O)O
InChIInChI=1S/C11H19NO4/c1-10(2,3)8(13)7-6-16-11(4,5)12(7)9(14)15/h7H,6H2,1-5H3,(H,14,15)
InChIKeyYFGXQIUPWIBVBV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds1

About 4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 19385104) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID19385104
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)(C)C(=O)C1COC(C)(C)N1C(=O)O
InChIInChI=1S/C11H19NO4/c1-10(2,3)8(13)7-6-16-11(4,5)12(7)9(14)15/h7H,6H2,1-5H3,(H,14,15)
InChIKeyYFGXQIUPWIBVBV-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 19385104) is 4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC(C)(C)C(=O)C1COC(C)(C)N1C(=O)O.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is YFGXQIUPWIBVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,3)8(13)7-6-16-11(4,5)12(7)9(14)15/h7H,6H2,1-5H3,(H,14,15).
What are the key properties of 4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 19385104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).