(2R)-3-methyl-2-phenylbutanoic acid

C11H14O2 — CID 7290444

IUPAC(2R)-3-methyl-2-phenylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyHDLQGISFYDYWFJ-SNVBAGLBSA-N
MW178.23 g/mol
LogP2.51
Rot. Bonds3

About (2R)-3-methyl-2-phenylbutanoic acid

(2R)-3-methyl-2-phenylbutanoic acid (PubChem CID 7290444) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R)-3-methyl-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-phenylbutanoic acid
PubChem CID7290444
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2R)-3-methyl-2-phenylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyHDLQGISFYDYWFJ-SNVBAGLBSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2,3-diphenylpentanoic acid
CID 13280236
(3R)-4-methyl-3-phenylpentan-2-one
CID 7018943
2-phenyl-3-sulfanylbutanoic acid
CID 22460484
(3-methyl-2-phenylbutanoyl) 3-methyl-2-phenylbutaneperoxoate
CID 18381033
2-(3-benzoylphenyl)-3-methylbutanoic acid
CID 134119890
(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 10888841
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
1-hydroxy-4-methyl-3-phenylpentan-2-one
CID 46916077
azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
CID 70402898
(2S)-2-[(3-methyl-2-phenylbutanoyl)amino]propanoic acid
CID 119942798
(2R)-3-ethyl-2-phenylpentanoic acid
CID 124511908
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
CID 45117186

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-phenylbutanoic acid?
The IUPAC name of (2R)-3-methyl-2-phenylbutanoic acid (CID 7290444) is (2R)-3-methyl-2-phenylbutanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-phenylbutanoic acid?
The canonical SMILES for (2R)-3-methyl-2-phenylbutanoic acid is CC(C)[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-3-methyl-2-phenylbutanoic acid?
The InChIKey is HDLQGISFYDYWFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (2R)-3-methyl-2-phenylbutanoic acid?
(2R)-3-methyl-2-phenylbutanoic acid has a molecular weight of 178.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-phenylbutanoic acid is sourced from PubChem (CID 7290444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).