benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate

C13H14N2O4 — CID 67806769

IUPACbenzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate
SMILESO=C(NC1CC(O)C=NC1=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O4/c16-10-6-11(12(17)14-7-10)15-13(18)19-8-9-4-2-1-3-5-9/h1-5,7,10-11,16H,6,8H2,(H,15,18)
InChIKeyFLPNTQSMENPMKI-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.64
Rot. Bonds3

About benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate

benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate (PubChem CID 67806769) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate
PubChem CID67806769
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namebenzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate
SMILESO=C(NC1CC(O)C=NC1=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O4/c16-10-6-11(12(17)14-7-10)15-13(18)19-8-9-4-2-1-3-5-9/h1-5,7,10-11,16H,6,8H2,(H,15,18)
InChIKeyFLPNTQSMENPMKI-UHFFFAOYSA-N
XLogP0.64
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate
CID 68556132
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate?
The IUPAC name of benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate (CID 67806769) is benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate?
The canonical SMILES for benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate is O=C(NC1CC(O)C=NC1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate?
The InChIKey is FLPNTQSMENPMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-10-6-11(12(17)14-7-10)15-13(18)19-8-9-4-2-1-3-5-9/h1-5,7,10-11,16H,6,8H2,(H,15,18).
What are the key properties of benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate?
benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate has a molecular weight of 262.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-hydroxy-2-oxo-4,5-dihydro-3H-pyridin-3-yl)carbamate is sourced from PubChem (CID 67806769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).