(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid

C10H12O3 — CID 39237237

IUPAC(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C[C@@H](O)C(=O)O
InChIInChI=1S/C10H12O3/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyYDTGEPLJNTZWKH-SECBINFHSA-N
MW180.20 g/mol
LogP0.98
Rot. Bonds3

About (2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid

(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid (PubChem CID 39237237) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
PubChem CID39237237
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C[C@@H](O)C(=O)O
InChIInChI=1S/C10H12O3/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyYDTGEPLJNTZWKH-SECBINFHSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
2-hydroxy-3-(2-phenylphenyl)propanoic acid
CID 150667818
2-(2-methylphenyl)acetic acid
CID 67440217
2-hydroxy-3-[(2-methylphenyl)methylcarbamoylamino]propanoic acid
CID 66167152
(2R)-2-(diethylamino)-3-(2-methylphenyl)propanoic acid
CID 98822926
4,4,4-trifluoro-2-[(2-methylphenyl)methyl]butanoic acid
CID 79419142
(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride
CID 42328007
5-fluoro-2-[(2-methylphenyl)methyl]pentanoic acid
CID 81113888
2-[(2-methylphenyl)methyl]hex-4-enoic acid
CID 79421153
(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
CID 24820268
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid?
The IUPAC name of (2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid (CID 39237237) is (2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid is Cc1ccccc1C[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid?
The InChIKey is YDTGEPLJNTZWKH-SECBINFHSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid?
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid has a molecular weight of 180.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 39237237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).