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

C9H15NO5 — CID 5129769

IUPAC2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)OC(C)(C)C1(C)O
InChIInChI=1S/C9H15NO5/c1-5(6(11)12)10-7(13)15-8(2,3)9(10,4)14/h5,14H,1-4H3,(H,11,12)
InChIKeyHNYCRWJENYWJKV-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.40
Rot. Bonds2

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

2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid (PubChem CID 5129769) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid
PubChem CID5129769
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)OC(C)(C)C1(C)O
InChIInChI=1S/C9H15NO5/c1-5(6(11)12)10-7(13)15-8(2,3)9(10,4)14/h5,14H,1-4H3,(H,11,12)
InChIKeyHNYCRWJENYWJKV-UHFFFAOYSA-N
XLogP0.40
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)butanoic acid
CID 4362033
3-Cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 536404
(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
CID 3438402
2-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
CID 4243422
3-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate
CID 4572762
2-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate
CID 5129768
Sodium 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
CID 44118637
2-[Methanidyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;yttrium
CID 60053608
(4S)-3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 705471
(4R)-3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 705474
2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 1248186
2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 1248187

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid?
The IUPAC name of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid (CID 5129769) is 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid.
What is the SMILES notation for 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid?
The canonical SMILES for 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid is CC(C(=O)O)N1C(=O)OC(C)(C)C1(C)O.
What is the InChIKey of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid?
The InChIKey is HNYCRWJENYWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-5(6(11)12)10-7(13)15-8(2,3)9(10,4)14/h5,14H,1-4H3,(H,11,12).
What are the key properties of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid?
2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoic acid has a molecular weight of 217.22 g/mol, XLogP of 0.40, 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)propanoic acid is sourced from PubChem (CID 5129769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).