2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride

C11H16ClNO2 — CID 82128471

IUPAC2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride
SMILESCc1ccc(C(C)(N)C(=O)O)c(C)c1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-7-4-5-9(8(2)6-7)11(3,12)10(13)14;/h4-6H,12H2,1-3H3,(H,13,14);1H
InChIKeyJOYOZZWKQHPPCZ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.98
Rot. Bonds2

About 2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride

2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride (PubChem CID 82128471) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride
PubChem CID82128471
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride
SMILESCc1ccc(C(C)(N)C(=O)O)c(C)c1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-7-4-5-9(8(2)6-7)11(3,12)10(13)14;/h4-6H,12H2,1-3H3,(H,13,14);1H
InChIKeyJOYOZZWKQHPPCZ-UHFFFAOYSA-N
XLogP1.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2,5-dimethylphenyl)propanoic acid
CID 24695518
(2S)-2-amino-2-(4-bromo-2-methylphenyl)propanoic acid
CID 130641100
(2S)-2-amino-2-(2-fluoro-5-methylphenyl)propanoic acid
CID 130985670
2-(2,5-dimethylphenyl)-2-fluoropropanoic acid
CID 105425199
2-(2,4-dimethylphenyl)-N,2-dimethylpropanehydrazide
CID 116845892
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
(2S)-2-amino-2-(2,4-dihydroxyphenyl)propanoic acid
CID 130650508
ethyl 3-amino-3-(2,4-dimethylphenyl)butanoate
CID 79848686
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
2-(2,4-dimethylphenyl)-2-hydroxypropanal
CID 66040527
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
1-(2,4-dimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839374

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride (CID 82128471) is 2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride is Cc1ccc(C(C)(N)C(=O)O)c(C)c1.Cl.
What is the InChIKey of 2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride?
The InChIKey is JOYOZZWKQHPPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-7-4-5-9(8(2)6-7)11(3,12)10(13)14;/h4-6H,12H2,1-3H3,(H,13,14);1H.
What are the key properties of 2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride?
2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 82128471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).