2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid

C7H13NO3 — CID 20740856

IUPAC2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESCN1C(C(=O)O)COC1(C)C
InChIInChI=1S/C7H13NO3/c1-7(2)8(3)5(4-11-7)6(9)10/h5H,4H2,1-3H3,(H,9,10)
InChIKeyYCESFRYCBLKZGR-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.14
Rot. Bonds1

About 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid

2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 20740856) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID20740856
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESCN1C(C(=O)O)COC1(C)C
InChIInChI=1S/C7H13NO3/c1-7(2)8(3)5(4-11-7)6(9)10/h5H,4H2,1-3H3,(H,9,10)
InChIKeyYCESFRYCBLKZGR-UHFFFAOYSA-N
XLogP0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid (CID 20740856) is 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid is CN1C(C(=O)O)COC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is YCESFRYCBLKZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2)8(3)5(4-11-7)6(9)10/h5H,4H2,1-3H3,(H,9,10).
What are the key properties of 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid?
2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 20740856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).