2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid

C16H25NO2 — CID 151150433

IUPAC2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid
SMILESCc1cccc(C(C)C(C)CC(C)(N)C(=O)O)c1C
InChIInChI=1S/C16H25NO2/c1-10-7-6-8-14(12(10)3)13(4)11(2)9-16(5,17)15(18)19/h6-8,11,13H,9,17H2,1-5H3,(H,18,19)
InChIKeyMYCNBARKRABNQT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds5

About 2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid

2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid (PubChem CID 151150433) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid.

Molecular Properties

Compound Name2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid
PubChem CID151150433
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid
SMILESCc1cccc(C(C)C(C)CC(C)(N)C(=O)O)c1C
InChIInChI=1S/C16H25NO2/c1-10-7-6-8-14(12(10)3)13(4)11(2)9-16(5,17)15(18)19/h6-8,11,13H,9,17H2,1-5H3,(H,18,19)
InChIKeyMYCNBARKRABNQT-UHFFFAOYSA-N
XLogP3.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid?
The IUPAC name of 2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid (CID 151150433) is 2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid.
What is the SMILES notation for 2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid?
The canonical SMILES for 2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid is Cc1cccc(C(C)C(C)CC(C)(N)C(=O)O)c1C.
What is the InChIKey of 2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid?
The InChIKey is MYCNBARKRABNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-7-6-8-14(12(10)3)13(4)11(2)9-16(5,17)15(18)19/h6-8,11,13H,9,17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid?
2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid is sourced from PubChem (CID 151150433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).