(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid

C10H10O4 — CID 97115094

IUPAC(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
SMILESC[C@](O)(C(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C10H10O4/c1-10(14,9(12)13)8(11)7-5-3-2-4-6-7/h2-6,14H,1H3,(H,12,13)/t10-/m1/s1
InChIKeyQDKWGDGOZFRLGA-SNVBAGLBSA-N
MW194.19 g/mol
LogP0.70
Rot. Bonds3

About (2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid

(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid (PubChem CID 97115094) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
PubChem CID97115094
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
SMILESC[C@](O)(C(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C10H10O4/c1-10(14,9(12)13)8(11)7-5-3-2-4-6-7/h2-6,14H,1H3,(H,12,13)/t10-/m1/s1
InChIKeyQDKWGDGOZFRLGA-SNVBAGLBSA-N
XLogP0.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoate
CID 131869499
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
2-benzoyl-2,3-dihydroxy-3-methylbutanedioic acid
CID 141115442
(2S,3S)-2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;hydrate
CID 130366077
(2S)-2-benzoyl-2,3,3-trimethylbutanedioic acid
CID 175533382
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one
CID 12576841
2-bromo-1-phenyl-2-sulfanylpropan-1-one
CID 23463078
2,3-dibenzoyl-4-deuteriooxy-2,3-dihydroxy-4-oxobutanoic acid
CID 141186854
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
2-methyl-2-methylsulfanyl-1-phenylpropan-1-one
CID 19001344
2-hydroxy-3-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 19878470

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid (CID 97115094) is (2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid is C[C@](O)(C(=O)O)C(=O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid?
The InChIKey is QDKWGDGOZFRLGA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10O4/c1-10(14,9(12)13)8(11)7-5-3-2-4-6-7/h2-6,14H,1H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid?
(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid has a molecular weight of 194.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid is sourced from PubChem (CID 97115094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).