(3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid

C19H29NO3 — CID 46187579

IUPAC(3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid
SMILESCCc1cc(CC[C@@](O)(CC(=O)O)C2CCCC2)cc(CC)n1
InChIInChI=1S/C19H29NO3/c1-3-16-11-14(12-17(4-2)20-16)9-10-19(23,13-18(21)22)15-7-5-6-8-15/h11-12,15,23H,3-10,13H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyHPPQBMAIWAWVOX-LJQANCHMSA-N
MW319.45 g/mol
LogP3.54
Rot. Bonds8

About (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid

(3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid (PubChem CID 46187579) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid.

Molecular Properties

Compound Name(3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid
PubChem CID46187579
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid
SMILESCCc1cc(CC[C@@](O)(CC(=O)O)C2CCCC2)cc(CC)n1
InChIInChI=1S/C19H29NO3/c1-3-16-11-14(12-17(4-2)20-16)9-10-19(23,13-18(21)22)15-7-5-6-8-15/h11-12,15,23H,3-10,13H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyHPPQBMAIWAWVOX-LJQANCHMSA-N
XLogP3.54
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid?
The IUPAC name of (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid (CID 46187579) is (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid.
What is the SMILES notation for (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid?
The canonical SMILES for (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid is CCc1cc(CC[C@@](O)(CC(=O)O)C2CCCC2)cc(CC)n1.
What is the InChIKey of (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid?
The InChIKey is HPPQBMAIWAWVOX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-16-11-14(12-17(4-2)20-16)9-10-19(23,13-18(21)22)15-7-5-6-8-15/h11-12,15,23H,3-10,13H2,1-2H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid?
(3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid has a molecular weight of 319.45 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoic acid is sourced from PubChem (CID 46187579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).