benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate

C20H19NO3 — CID 86333985

IUPACbenzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESO=C1C=CN(C(=O)OCc2ccccc2)[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C20H19NO3/c22-19-11-12-21(18(14-19)13-16-7-3-1-4-8-16)20(23)24-15-17-9-5-2-6-10-17/h1-12,18H,13-15H2/t18-/m0/s1
InChIKeyCPPWUCAZPYCXLB-SFHVURJKSA-N
MW321.38 g/mol
LogP3.72
Rot. Bonds4

About benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate

benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 86333985) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID86333985
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Namebenzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESO=C1C=CN(C(=O)OCc2ccccc2)[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C20H19NO3/c22-19-11-12-21(18(14-19)13-16-7-3-1-4-8-16)20(23)24-15-17-9-5-2-6-10-17/h1-12,18H,13-15H2/t18-/m0/s1
InChIKeyCPPWUCAZPYCXLB-SFHVURJKSA-N
XLogP3.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 86333984
benzyl (2R)-2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 18660116
benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate
CID 101153820
benzyl (2S)-2-(chloromethyl)aziridine-1-carboxylate
CID 176637455
benzyl 2-(3-chloropropyl)-6-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 11034607
benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 66739288
tert-butyl 3-(4-oxo-1-phenylmethoxycarbonyl-2,3-dihydropyridin-2-yl)indole-1-carboxylate
CID 11453631
benzyl 2-(3-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;benzyl 2-(3-fluorophenyl)-4-oxopiperidine-1-carboxylate
CID 159080814
2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane
CID 144683049
(3S)-4-phenylmethoxycarbonyl-2,3-dihydro-1,4-oxazine-3-carboxylic acid
CID 68579037
benzyl (2S)-2-benzyl-5-methyl-3-oxo-2,4-dihydropyridine-1-carboxylate
CID 139253604
(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 34176386

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate (CID 86333985) is benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate is O=C1C=CN(C(=O)OCc2ccccc2)[C@@H](Cc2ccccc2)C1.
What is the InChIKey of benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is CPPWUCAZPYCXLB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19NO3/c22-19-11-12-21(18(14-19)13-16-7-3-1-4-8-16)20(23)24-15-17-9-5-2-6-10-17/h1-12,18H,13-15H2/t18-/m0/s1.
What are the key properties of benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 86333985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).