2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid

C14H19NO3 — CID 20671789

IUPAC2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid
SMILESCN1OC(CC(=O)O)C(C)(C)C1c1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2)11(9-12(16)17)18-15(3)13(14)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3,(H,16,17)
InChIKeyNUEWCLSJCJSWIZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.47
Rot. Bonds3

About 2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid

2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid (PubChem CID 20671789) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid
PubChem CID20671789
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid
SMILESCN1OC(CC(=O)O)C(C)(C)C1c1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2)11(9-12(16)17)18-15(3)13(14)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3,(H,16,17)
InChIKeyNUEWCLSJCJSWIZ-UHFFFAOYSA-N
XLogP2.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid?
The IUPAC name of 2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid (CID 20671789) is 2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid is CN1OC(CC(=O)O)C(C)(C)C1c1ccccc1.
What is the InChIKey of 2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid?
The InChIKey is NUEWCLSJCJSWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2)11(9-12(16)17)18-15(3)13(14)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid?
2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4-trimethyl-3-phenyl-1,2-oxazolidin-5-yl)acetic acid is sourced from PubChem (CID 20671789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).