2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid

C15H23NO2 — CID 151596439

IUPAC2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid
SMILESCCC(CC(C)(N)C(=O)O)c1cccc(C)c1C
InChIInChI=1S/C15H23NO2/c1-5-12(9-15(4,16)14(17)18)13-8-6-7-10(2)11(13)3/h6-8,12H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyQJOFSDQDTQEAFB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.99
Rot. Bonds5

About 2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid

2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid (PubChem CID 151596439) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid.

Molecular Properties

Compound Name2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid
PubChem CID151596439
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid
SMILESCCC(CC(C)(N)C(=O)O)c1cccc(C)c1C
InChIInChI=1S/C15H23NO2/c1-5-12(9-15(4,16)14(17)18)13-8-6-7-10(2)11(13)3/h6-8,12H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyQJOFSDQDTQEAFB-UHFFFAOYSA-N
XLogP2.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid
CID 151150433
2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid
CID 150425613
5-(2,3-dimethylphenyl)heptan-2-one
CID 83921989
2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid
CID 150114783
3-(2,3-dimethylphenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62397670
2-amino-3-(2,6-dimethylphenyl)-2-methylpropanoic acid
CID 68716291
acetic acid;2-(2,3-dimethylphenyl)propan-2-amine
CID 173060672
ethyl 2-(2,3-dimethylphenyl)-2-fluoroacetate
CID 79366968
2-(2,3-dimethylphenyl)butanedioic acid
CID 70454411
2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid
CID 150363705
(3S)-3-acetamido-3-(2,3-dimethylphenyl)propanoic acid
CID 78947603
2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid?
The IUPAC name of 2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid (CID 151596439) is 2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid.
What is the SMILES notation for 2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid?
The canonical SMILES for 2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid is CCC(CC(C)(N)C(=O)O)c1cccc(C)c1C.
What is the InChIKey of 2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid?
The InChIKey is QJOFSDQDTQEAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12(9-15(4,16)14(17)18)13-8-6-7-10(2)11(13)3/h6-8,12H,5,9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid?
2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dimethylphenyl)-2-methylhexanoic acid is sourced from PubChem (CID 151596439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).