2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid

C19H21NO3 — CID 23436479

IUPAC2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid
SMILESCC(CC(=O)c1ccccc1-c1ccccc1)CC(N)C(=O)O
InChIInChI=1S/C19H21NO3/c1-13(11-17(20)19(22)23)12-18(21)16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13,17H,11-12,20H2,1H3,(H,22,23)
InChIKeyGXRGJAFVDQCQRY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.36
Rot. Bonds7

About 2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid

2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid (PubChem CID 23436479) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid.

Molecular Properties

Compound Name2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid
PubChem CID23436479
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid
SMILESCC(CC(=O)c1ccccc1-c1ccccc1)CC(N)C(=O)O
InChIInChI=1S/C19H21NO3/c1-13(11-17(20)19(22)23)12-18(21)16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13,17H,11-12,20H2,1H3,(H,22,23)
InChIKeyGXRGJAFVDQCQRY-UHFFFAOYSA-N
XLogP3.36
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid?
The IUPAC name of 2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid (CID 23436479) is 2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid.
What is the SMILES notation for 2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid?
The canonical SMILES for 2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid is CC(CC(=O)c1ccccc1-c1ccccc1)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid?
The InChIKey is GXRGJAFVDQCQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(11-17(20)19(22)23)12-18(21)16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13,17H,11-12,20H2,1H3,(H,22,23).
What are the key properties of 2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid?
2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-oxo-6-(2-phenylphenyl)hexanoic acid is sourced from PubChem (CID 23436479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).