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

C8H13NO5 — CID 3438402

IUPAC2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
SMILESCC1(C)OC(=O)N(CC(=O)O)C1(C)O
InChIInChI=1S/C8H13NO5/c1-7(2)8(3,13)9(4-5(10)11)6(12)14-7/h13H,4H2,1-3H3,(H,10,11)
InChIKeyLCOQHVMIPOQRHJ-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.01
Rot. Bonds2

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

2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid (PubChem CID 3438402) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
PubChem CID3438402
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
SMILESCC1(C)OC(=O)N(CC(=O)O)C1(C)O
InChIInChI=1S/C8H13NO5/c1-7(2)8(3,13)9(4-5(10)11)6(12)14-7/h13H,4H2,1-3H3,(H,10,11)
InChIKeyLCOQHVMIPOQRHJ-UHFFFAOYSA-N
XLogP0.01
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid (CID 3438402) is 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid is CC1(C)OC(=O)N(CC(=O)O)C1(C)O.
What is the InChIKey of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid?
The InChIKey is LCOQHVMIPOQRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-7(2)8(3,13)9(4-5(10)11)6(12)14-7/h13H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid?
2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid has a molecular weight of 203.19 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid is sourced from PubChem (CID 3438402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).