(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid

C11H14O3 — CID 67621465

IUPAC(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
SMILESCc1ccccc1C[C@@H](O)CC(=O)O
InChIInChI=1S/C11H14O3/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyDUAQKWQBVWIRQM-SNVBAGLBSA-N
MW194.23 g/mol
LogP1.37
Rot. Bonds4

About (3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid

(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid (PubChem CID 67621465) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
PubChem CID67621465
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
SMILESCc1ccccc1C[C@@H](O)CC(=O)O
InChIInChI=1S/C11H14O3/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyDUAQKWQBVWIRQM-SNVBAGLBSA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
CID 24820268
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
3-hydroxy-4-(2-phenylphenyl)butanoic acid
CID 53424527
3-hydroxy-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 103256406
2-(2-methylphenyl)acetic acid
CID 67440217
1-(dimethylamino)-3-(2-methylphenyl)propan-2-ol
CID 79087104
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
4-ethyl-1-(2-methylphenyl)hexan-2-ol
CID 82919839
1-(2-methylphenyl)-3-(4-methylphenyl)propan-2-ol
CID 55137869
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol
CID 115345853
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid?
The IUPAC name of (3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid (CID 67621465) is (3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid?
The canonical SMILES for (3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid is Cc1ccccc1C[C@@H](O)CC(=O)O.
What is the InChIKey of (3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid?
The InChIKey is DUAQKWQBVWIRQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid?
(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid is sourced from PubChem (CID 67621465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).