2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid

C12H17NO2 — CID 68716291

IUPAC2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid
SMILESCc1cccc(C)c1CC(C)(N)C(=O)O
InChIInChI=1S/C12H17NO2/c1-8-5-4-6-9(2)10(8)7-12(3,13)11(14)15/h4-6H,7,13H2,1-3H3,(H,14,15)
InChIKeyZMAZAUGKXRJNMB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.65
Rot. Bonds3

About 2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid

2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid (PubChem CID 68716291) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid
PubChem CID68716291
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid
SMILESCc1cccc(C)c1CC(C)(N)C(=O)O
InChIInChI=1S/C12H17NO2/c1-8-5-4-6-9(2)10(8)7-12(3,13)11(14)15/h4-6H,7,13H2,1-3H3,(H,14,15)
InChIKeyZMAZAUGKXRJNMB-UHFFFAOYSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 123986153
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407
2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid
CID 151150433
2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid
CID 150425613
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
2-amino-2-methyl-3-(5-methylthiophen-2-yl)propanoic acid
CID 67184576
2-amino-3-(2-bromophenyl)-2-methylpropanoic acid
CID 53401931
2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid
CID 151596439
3-amino-1-(2,6-dimethylphenyl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592982
2-amino-2-methyl-3-(4-sulfanylphenyl)propanoic acid
CID 123948298
acetic acid;(2,6-dimethylphenyl)methanol
CID 71387321

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid (CID 68716291) is 2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid is Cc1cccc(C)c1CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid?
The InChIKey is ZMAZAUGKXRJNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-4-6-9(2)10(8)7-12(3,13)11(14)15/h4-6H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid?
2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 68716291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).