(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid

C19H20O4 — CID 66664989

IUPAC(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid
SMILESCCC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20O4/c1-2-9-16(18(20)21)23-19(22)17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16-17H,2,9H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyUJHSLZKRKRMVRZ-MRXNPFEDSA-N
MW312.37 g/mol
LogP3.62
Rot. Bonds7

About (2R)-2-(2,2-diphenylacetyl)oxypentanoic acid

(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid (PubChem CID 66664989) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-2-(2,2-diphenylacetyl)oxypentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid
PubChem CID66664989
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid
SMILESCCC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20O4/c1-2-9-16(18(20)21)23-19(22)17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16-17H,2,9H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyUJHSLZKRKRMVRZ-MRXNPFEDSA-N
XLogP3.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenecarbonothioyloxy)pentanoic acid
CID 174841835
14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid
CID 67997848
2-(2,2,2-trifluoro-1-phenylethoxy)pentanoic acid
CID 57287807
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
ethane;propan-2-yl 2-phenylpentanoate
CID 145424000
ethyl 2-benzhydryloxypentanoate
CID 22159721
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
2-(2-hydroxyhexanoyloxy)pentanoic acid
CID 18760379
4-ethoxy-3-ethoxycarbonyl-4-oxo-2-phenylbutanoic acid
CID 102417452
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
[(2S)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846537

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-diphenylacetyl)oxypentanoic acid?
The IUPAC name of (2R)-2-(2,2-diphenylacetyl)oxypentanoic acid (CID 66664989) is (2R)-2-(2,2-diphenylacetyl)oxypentanoic acid.
What is the SMILES notation for (2R)-2-(2,2-diphenylacetyl)oxypentanoic acid?
The canonical SMILES for (2R)-2-(2,2-diphenylacetyl)oxypentanoic acid is CCC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(2,2-diphenylacetyl)oxypentanoic acid?
The InChIKey is UJHSLZKRKRMVRZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20O4/c1-2-9-16(18(20)21)23-19(22)17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16-17H,2,9H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-(2,2-diphenylacetyl)oxypentanoic acid?
(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid has a molecular weight of 312.37 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-diphenylacetyl)oxypentanoic acid is sourced from PubChem (CID 66664989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).