(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid

C22H27NO3 — CID 154665813

IUPAC(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid
SMILESCCC(=O)C(C[C@H](CC(=O)O)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-4-20(24)22(17-11-7-5-8-12-17,18-13-9-6-10-14-18)16-19(23(2)3)15-21(25)26/h5-14,19H,4,15-16H2,1-3H3,(H,25,26)/t19-/m0/s1
InChIKeyQJQAWKRSVWZJKA-IBGZPJMESA-N
MW353.46 g/mol
LogP3.75
Rot. Bonds9

About (3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid

(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid (PubChem CID 154665813) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid.

Molecular Properties

Compound Name(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid
PubChem CID154665813
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid
SMILESCCC(=O)C(C[C@H](CC(=O)O)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-4-20(24)22(17-11-7-5-8-12-17,18-13-9-6-10-14-18)16-19(23(2)3)15-21(25)26/h5-14,19H,4,15-16H2,1-3H3,(H,25,26)/t19-/m0/s1
InChIKeyQJQAWKRSVWZJKA-IBGZPJMESA-N
XLogP3.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid
CID 164732652
6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
(6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one
CID 154665875
6-(dimethylamino)-4,4-diphenylheptan-3-one;2-methylprop-2-enoic acid;hydrochloride
CID 122684376
(6R)-6-(methylamino)-4,4-diphenylheptan-3-one
CID 131842164
(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
5-butan-2-yl-5-ethyl-1,3-diazinane-2,4,6-trione;6-(dimethylamino)-4,4-diphenylheptan-3-one
CID 70561400
N,N-dimethyl-5-oxo-4,4-diphenylheptan-2-amine oxide
CID 610077
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
(4S,6R)-6-(dimethylamino)-4-phenyl-4-(2,3,6-trifluorophenyl)heptan-3-one
CID 164732602
[(2S,3R)-2-hydroxy-6-oxo-5,5-diphenyloctan-3-yl]-dimethylazanium
CID 164732578

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid?
The IUPAC name of (3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid (CID 154665813) is (3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid.
What is the SMILES notation for (3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid?
The canonical SMILES for (3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid is CCC(=O)C(C[C@H](CC(=O)O)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid?
The InChIKey is QJQAWKRSVWZJKA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27NO3/c1-4-20(24)22(17-11-7-5-8-12-17,18-13-9-6-10-14-18)16-19(23(2)3)15-21(25)26/h5-14,19H,4,15-16H2,1-3H3,(H,25,26)/t19-/m0/s1.
What are the key properties of (3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid?
(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid has a molecular weight of 353.46 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid is sourced from PubChem (CID 154665813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).