methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate

C20H31NO3 — CID 71211367

IUPACmethyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate
SMILESCCc1cc(CC[C@@](O)(CC(=O)OC)C2CCCC2)cc(CC)n1
InChIInChI=1S/C20H31NO3/c1-4-17-12-15(13-18(5-2)21-17)10-11-20(23,14-19(22)24-3)16-8-6-7-9-16/h12-13,16,23H,4-11,14H2,1-3H3/t20-/m1/s1
InChIKeyZALOIKXKEGQFQI-HXUWFJFHSA-N
MW333.47 g/mol
LogP3.62
Rot. Bonds8

About methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate

methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate (PubChem CID 71211367) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate.

Molecular Properties

Compound Namemethyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate
PubChem CID71211367
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Namemethyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate
SMILESCCc1cc(CC[C@@](O)(CC(=O)OC)C2CCCC2)cc(CC)n1
InChIInChI=1S/C20H31NO3/c1-4-17-12-15(13-18(5-2)21-17)10-11-20(23,14-19(22)24-3)16-8-6-7-9-16/h12-13,16,23H,4-11,14H2,1-3H3/t20-/m1/s1
InChIKeyZALOIKXKEGQFQI-HXUWFJFHSA-N
XLogP3.62
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate?
The IUPAC name of methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate (CID 71211367) is methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate.
What is the SMILES notation for methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate?
The canonical SMILES for methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate is CCc1cc(CC[C@@](O)(CC(=O)OC)C2CCCC2)cc(CC)n1.
What is the InChIKey of methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate?
The InChIKey is ZALOIKXKEGQFQI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H31NO3/c1-4-17-12-15(13-18(5-2)21-17)10-11-20(23,14-19(22)24-3)16-8-6-7-9-16/h12-13,16,23H,4-11,14H2,1-3H3/t20-/m1/s1.
What are the key properties of methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate?
methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate has a molecular weight of 333.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-cyclopentyl-5-(2,6-diethyl-4-pyridinyl)-3-hydroxypentanoate is sourced from PubChem (CID 71211367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).