2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid

C17H27NO2 — CID 150114783

IUPAC2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid
SMILESCc1ccc(C(C)C(C)CC(C)(N)C(=O)O)c(C)c1C
InChIInChI=1S/C17H27NO2/c1-10-7-8-15(14(5)12(10)3)13(4)11(2)9-17(6,18)16(19)20/h7-8,11,13H,9,18H2,1-6H3,(H,19,20)
InChIKeyDXZURDYYKBREGZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.54
Rot. Bonds5

About 2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid

2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid (PubChem CID 150114783) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid.

Molecular Properties

Compound Name2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid
PubChem CID150114783
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid
SMILESCc1ccc(C(C)C(C)CC(C)(N)C(=O)O)c(C)c1C
InChIInChI=1S/C17H27NO2/c1-10-7-8-15(14(5)12(10)3)13(4)11(2)9-17(6,18)16(19)20/h7-8,11,13H,9,18H2,1-6H3,(H,19,20)
InChIKeyDXZURDYYKBREGZ-UHFFFAOYSA-N
XLogP3.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid?
The IUPAC name of 2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid (CID 150114783) is 2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid.
What is the SMILES notation for 2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid?
The canonical SMILES for 2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid is Cc1ccc(C(C)C(C)CC(C)(N)C(=O)O)c(C)c1C.
What is the InChIKey of 2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid?
The InChIKey is DXZURDYYKBREGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-10-7-8-15(14(5)12(10)3)13(4)11(2)9-17(6,18)16(19)20/h7-8,11,13H,9,18H2,1-6H3,(H,19,20).
What are the key properties of 2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid?
2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid has a molecular weight of 277.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid is sourced from PubChem (CID 150114783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).