(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid

C11H15NO2 — CID 56845605

IUPAC(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(C[C@@H](N)C(=O)O)cc1C
InChIInChI=1S/C11H15NO2/c1-7-3-4-9(5-8(7)2)6-10(12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyPHTDECHKNDJYMG-SNVBAGLBSA-N
MW193.25 g/mol
LogP1.26
Rot. Bonds3

About (2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid

(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid (PubChem CID 56845605) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
PubChem CID56845605
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(C[C@@H](N)C(=O)O)cc1C
InChIInChI=1S/C11H15NO2/c1-7-3-4-9(5-8(7)2)6-10(12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyPHTDECHKNDJYMG-SNVBAGLBSA-N
XLogP1.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid
CID 55297813
(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 162344184
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
(2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid
CID 144937817
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
CID 93478162
CID 175932180
CID 175932180
2-[(3,4-dimethylphenyl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973412
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
(2R)-2-[(3,4-dimethylphenyl)methyl]butanoic acid
CID 94240674
sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
CID 160538956
2-amino-3-(3,4-dihydroxy-5-methylphenyl)propanoic acid
CID 75089325

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid (CID 56845605) is (2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid is Cc1ccc(C[C@@H](N)C(=O)O)cc1C.
What is the InChIKey of (2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid?
The InChIKey is PHTDECHKNDJYMG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-3-4-9(5-8(7)2)6-10(12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid?
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 56845605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).