(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride

C11H16ClNO2 — CID 154728811

IUPAC(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
SMILESCc1cccc(C)c1C[C@@H](N)C(=O)O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-7-4-3-5-8(2)9(7)6-10(12)11(13)14;/h3-5,10H,6,12H2,1-2H3,(H,13,14);1H/t10-;/m1./s1
InChIKeyYBRVUWWIKIHZNE-HNCPQSOCSA-N
MW229.71 g/mol
LogP1.68
Rot. Bonds3

About (2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride

(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride (PubChem CID 154728811) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is (2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
PubChem CID154728811
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
SMILESCc1cccc(C)c1C[C@@H](N)C(=O)O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-7-4-3-5-8(2)9(7)6-10(12)11(13)14;/h3-5,10H,6,12H2,1-2H3,(H,13,14);1H/t10-;/m1./s1
InChIKeyYBRVUWWIKIHZNE-HNCPQSOCSA-N
XLogP1.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2,3,6-trimethylphenyl)propanoic acid
CID 122505443
(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108
4-[(2S)-2-amino-2-carboxyethyl]-3,5-dimethylbenzoic acid;hydrochloride
CID 141482509
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356
2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
CID 170879455
tert-butyl 2-amino-3-(2,6-dimethylphenyl)propanoate
CID 83225158
(2S)-2-amino-3-[4-(2,6-dimethylphenyl)phenyl]propanoic acid
CID 151523268
2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid
CID 138535602
(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride
CID 175702028
(2S)-2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
CID 68718009
(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride
CID 131883874
(2S)-2-amino-3-[3-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 139968570

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride (CID 154728811) is (2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride is Cc1cccc(C)c1C[C@@H](N)C(=O)O.Cl.
What is the InChIKey of (2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride?
The InChIKey is YBRVUWWIKIHZNE-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-7-4-3-5-8(2)9(7)6-10(12)11(13)14;/h3-5,10H,6,12H2,1-2H3,(H,13,14);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride?
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.68, 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-(2,6-dimethylphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 154728811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).