(3R)-3,5-diphenylpentanoic acid

C17H18O2 — CID 821797

IUPAC(3R)-3,5-diphenylpentanoic acid
SMILESO=C(O)C[C@@H](CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c18-17(19)13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,18,19)/t16-/m1/s1
InChIKeyKADKHVAFGMMXGM-MRXNPFEDSA-N
MW254.33 g/mol
LogP3.88
Rot. Bonds6

About (3R)-3,5-diphenylpentanoic acid

(3R)-3,5-diphenylpentanoic acid (PubChem CID 821797) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3R)-3,5-diphenylpentanoic acid.

Molecular Properties

Compound Name(3R)-3,5-diphenylpentanoic acid
PubChem CID821797
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(3R)-3,5-diphenylpentanoic acid
SMILESO=C(O)C[C@@H](CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c18-17(19)13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,18,19)/t16-/m1/s1
InChIKeyKADKHVAFGMMXGM-MRXNPFEDSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one
CID 173345810
(3S)-7-amino-3-phenylheptanoic acid
CID 70002010
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
ethane;3-phenylpentanoic acid
CID 142147200
5-(benzylamino)-5-oxo-3-phenylpentanoic acid
CID 70196436
4-(1,3-diphenylpropylamino)-3-(hydroxymethyl)-4-oxobutanoic acid
CID 167797466
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
4-(4-hydroxyphenyl)-3-phenylbutanoic acid
CID 18772164
3-(4-phenoxyphenyl)pentanedioic acid
CID 170564926
(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 40591277
5-phenyl-3-[(2-phenylacetyl)amino]pentanoic acid
CID 67362922
(1R)-1,3-diphenylpropan-1-ol
CID 11845542

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-diphenylpentanoic acid?
The IUPAC name of (3R)-3,5-diphenylpentanoic acid (CID 821797) is (3R)-3,5-diphenylpentanoic acid.
What is the SMILES notation for (3R)-3,5-diphenylpentanoic acid?
The canonical SMILES for (3R)-3,5-diphenylpentanoic acid is O=C(O)C[C@@H](CCc1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3,5-diphenylpentanoic acid?
The InChIKey is KADKHVAFGMMXGM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18O2/c18-17(19)13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,18,19)/t16-/m1/s1.
What are the key properties of (3R)-3,5-diphenylpentanoic acid?
(3R)-3,5-diphenylpentanoic acid has a molecular weight of 254.33 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-diphenylpentanoic acid is sourced from PubChem (CID 821797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).