2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid

C10H17NO4 — CID 87954114

IUPAC2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OC(C)(C)N(C(=O)O)C1CC=O
InChIInChI=1S/C10H17NO4/c1-9(2)7(5-6-12)11(8(13)14)10(3,4)15-9/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyFXLYOVGDAIFDSS-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.47
Rot. Bonds2

About 2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid

2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid (PubChem CID 87954114) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
PubChem CID87954114
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OC(C)(C)N(C(=O)O)C1CC=O
InChIInChI=1S/C10H17NO4/c1-9(2)7(5-6-12)11(8(13)14)10(3,4)15-9/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyFXLYOVGDAIFDSS-UHFFFAOYSA-N
XLogP1.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid (CID 87954114) is 2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid is CC1(C)OC(C)(C)N(C(=O)O)C1CC=O.
What is the InChIKey of 2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is FXLYOVGDAIFDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-9(2)7(5-6-12)11(8(13)14)10(3,4)15-9/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of 2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 87954114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).