3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one

C8H12N2O2 — CID 131031761

IUPAC3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
SMILESCN[C@H](CO)c1ccc[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-9-7(5-11)6-3-2-4-10-8(6)12/h2-4,7,9,11H,5H2,1H3,(H,10,12)/t7-/m1/s1
InChIKeyJCGCKUVIVHGLHV-SSDOTTSWSA-N
MW168.20 g/mol
LogP-0.37
Rot. Bonds3

About 3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one

3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one (PubChem CID 131031761) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
PubChem CID131031761
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
SMILESCN[C@H](CO)c1ccc[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-9-7(5-11)6-3-2-4-10-8(6)12/h2-4,7,9,11H,5H2,1H3,(H,10,12)/t7-/m1/s1
InChIKeyJCGCKUVIVHGLHV-SSDOTTSWSA-N
XLogP-0.37
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
CID 131029233
2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 62415682
(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 55276460
3-(dihydroxymethyl)-1H-pyridin-2-one
CID 89458660
methane;3-propan-2-yl-1H-pyridin-2-one
CID 159076813
3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol
CID 130722281
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
3-(1-aminoethyl)-1H-pyridin-2-one
CID 12982899
3-[(1R)-1-aminoethyl]-1H-pyridin-2-one
CID 55263461
(2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol
CID 55277545
3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
CID 55275457
2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol
CID 130741127

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one (CID 131031761) is 3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one is CN[C@H](CO)c1ccc[nH]c1=O.
What is the InChIKey of 3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one?
The InChIKey is JCGCKUVIVHGLHV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-9-7(5-11)6-3-2-4-10-8(6)12/h2-4,7,9,11H,5H2,1H3,(H,10,12)/t7-/m1/s1.
What are the key properties of 3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one?
3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 131031761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).