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

C11H15NO2 — CID 73011108

IUPAC(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
SMILESCc1cccc(C[C@@H](N)C(=O)O)c1C
InChIInChI=1S/C11H15NO2/c1-7-4-3-5-9(8(7)2)6-10(12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyYOOQLMVNYYJZEI-SNVBAGLBSA-N
MW193.25 g/mol
LogP1.26
Rot. Bonds3

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

(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid (PubChem CID 73011108) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
PubChem CID73011108
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
SMILESCc1cccc(C[C@@H](N)C(=O)O)c1C
InChIInChI=1S/C11H15NO2/c1-7-4-3-5-9(8(7)2)6-10(12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyYOOQLMVNYYJZEI-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

2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356
(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 130643080
(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
CID 162344777
2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid
CID 138535602
(2S)-2-amino-3-[3-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 139968570
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
(2S)-2-amino-3-[2-(deuteriomethyl)phenyl]propanoic acid
CID 123633145
2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791820
2-amino-3-(2,3,6-trimethylphenyl)propanoic acid
CID 122505443
(2S)-2-amino-3-[4-(2,6-dimethylphenyl)phenyl]propanoic acid
CID 151523268
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid (CID 73011108) is (2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid is Cc1cccc(C[C@@H](N)C(=O)O)c1C.
What is the InChIKey of (2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid?
The InChIKey is YOOQLMVNYYJZEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-3-5-9(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-(2,3-dimethylphenyl)propanoic acid?
(2R)-2-amino-3-(2,3-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-(2,3-dimethylphenyl)propanoic acid is sourced from PubChem (CID 73011108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).