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

C10H12O3 — CID 10976082

IUPAC(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid
SMILESC[C@@H](C(=O)O)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H12O3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3,(H,12,13)/t7-,9-/m1/s1
InChIKeyJWISPMMVFLKFMW-VXNVDRBHSA-N
MW180.20 g/mol
LogP1.44
Rot. Bonds3

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

(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid (PubChem CID 10976082) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid
PubChem CID10976082
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid
SMILESC[C@@H](C(=O)O)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H12O3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3,(H,12,13)/t7-,9-/m1/s1
InChIKeyJWISPMMVFLKFMW-VXNVDRBHSA-N
XLogP1.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Mandelic Acid
CID 1292
(S)-mandelic acid
CID 439616
(-)-Mandelic acid
CID 11914
Ethyl mandelate
CID 13050
Tropic acid
CID 10726
rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
CID 68776
2-(4'-(1-Hydroxy-2-methylpropyl)phenyl)propionic acid
CID 45117195
(+-)-Methyl mandelate
CID 78066
Ethyl 3-phenylhydracrylate, (+-)-
CID 99818
Isoamyl mandelate
CID 95396
4-Fluoromandelic acid
CID 98068
Methyl 3-hydroxy-2-phenylpropanoate
CID 239086

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid?
The IUPAC name of (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid (CID 10976082) is (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid is C[C@@H](C(=O)O)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid?
The InChIKey is JWISPMMVFLKFMW-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3,(H,12,13)/t7-,9-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid?
(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 10976082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).