2-amino-2-(2,5-dimethylphenyl)propanoic acid

C11H15NO2 — CID 24695518

IUPAC2-amino-2-(2,5-dimethylphenyl)propanoic acid
SMILESCc1ccc(C)c(C(C)(N)C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-7-4-5-8(2)9(6-7)11(3,12)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyZFSYRISYXZWCRA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.56
Rot. Bonds2

About 2-amino-2-(2,5-dimethylphenyl)propanoic acid

2-amino-2-(2,5-dimethylphenyl)propanoic acid (PubChem CID 24695518) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-2-(2,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(2,5-dimethylphenyl)propanoic acid
PubChem CID24695518
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-amino-2-(2,5-dimethylphenyl)propanoic acid
SMILESCc1ccc(C)c(C(C)(N)C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-7-4-5-8(2)9(6-7)11(3,12)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyZFSYRISYXZWCRA-UHFFFAOYSA-N
XLogP1.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride
CID 82128471
(2S)-2-amino-2-(2-fluoro-5-methylphenyl)propanoic acid
CID 130985670
2-(2,5-dimethylphenyl)-2-fluoropropanoic acid
CID 105425199
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
(2S)-2-amino-2-(4-bromo-2-methylphenyl)propanoic acid
CID 130641100
2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
CID 55292841
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
CID 130657350
2-(2-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 62394143
(2S)-2-amino-2-(2,4-dihydroxyphenyl)propanoic acid
CID 130650508
3-(2,5-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62399045

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,5-dimethylphenyl)propanoic acid?
The IUPAC name of 2-amino-2-(2,5-dimethylphenyl)propanoic acid (CID 24695518) is 2-amino-2-(2,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-2-(2,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-amino-2-(2,5-dimethylphenyl)propanoic acid is Cc1ccc(C)c(C(C)(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-(2,5-dimethylphenyl)propanoic acid?
The InChIKey is ZFSYRISYXZWCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-5-8(2)9(6-7)11(3,12)10(13)14/h4-6H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-2-(2,5-dimethylphenyl)propanoic acid?
2-amino-2-(2,5-dimethylphenyl)propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 24695518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).