benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate

C20H23NO3 — CID 68787107

IUPACbenzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1)C1(CCc2ccccn2)CCCC1O
InChIInChI=1S/C20H23NO3/c22-18-10-6-12-20(18,13-11-17-9-4-5-14-21-17)19(23)24-15-16-7-2-1-3-8-16/h1-5,7-9,14,18,22H,6,10-13,15H2
InChIKeySFHYPQSWLGTLFQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.29
Rot. Bonds6

About benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate

benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate (PubChem CID 68787107) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate
PubChem CID68787107
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namebenzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1)C1(CCc2ccccn2)CCCC1O
InChIInChI=1S/C20H23NO3/c22-18-10-6-12-20(18,13-11-17-9-4-5-14-21-17)19(23)24-15-16-7-2-1-3-8-16/h1-5,7-9,14,18,22H,6,10-13,15H2
InChIKeySFHYPQSWLGTLFQ-UHFFFAOYSA-N
XLogP3.29
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

lithium 4-hydroxy-4-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]butanoate
CID 25178374
2-(5-Hydroxy-5H-indeno[1,2-b]pyridin-5-yl)-propionic acid ethyl ester
CID 648603
(1S,5S,8R,9S,10S,14Z,16R)-5,9-dihydroxy-6,6,8,10,14,19-hexamethyl-18-(5-methyl-2-pyridinyl)-2-oxabicyclo[14.3.0]nonadeca-14,18-diene-3,7-dione
CID 118737284
Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride
CID 3053869
Ethyl 3-hydroxy-3-(pyridin-3-yl)propanoate
CID 10465246
Methyl 4-[5-(hydroxymethyl)pyridin-2-yl]benzoate
CID 66545096
Propyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate
CID 54772044
ethyl (4S)-4-acetyloxy-2,2-difluoro-4-(3-pyridin-2-ylphenyl)butanoate
CID 162398375
benzyl 2-[(1S)-7-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6-oxabicyclo[3.2.1]octan-5-yl]acetate
CID 166446750
tert-Butyl 3-(3-methylpyridin-2-yl)benzoate
CID 57516851
Ethyl 3-(pyridin-2-yl)benzoate
CID 58443024
ethyl (7R,9S)-9-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-7-carboxylate
CID 58946037

Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate?
The IUPAC name of benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate (CID 68787107) is benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate?
The canonical SMILES for benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate is O=C(OCc1ccccc1)C1(CCc2ccccn2)CCCC1O.
What is the InChIKey of benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate?
The InChIKey is SFHYPQSWLGTLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-18-10-6-12-20(18,13-11-17-9-4-5-14-21-17)19(23)24-15-16-7-2-1-3-8-16/h1-5,7-9,14,18,22H,6,10-13,15H2.
What are the key properties of benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate?
benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxy-1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 68787107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).