5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one

C8H12N2O2 — CID 55292250

IUPAC5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one
SMILESN[C@H](CCO)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H12N2O2/c9-7(3-4-11)6-1-2-8(12)10-5-6/h1-2,5,7,11H,3-4,9H2,(H,10,12)/t7-/m1/s1
InChIKeyHWDYAZCSOGMAQS-SSDOTTSWSA-N
MW168.20 g/mol
LogP-0.24
Rot. Bonds3

About 5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one

5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one (PubChem CID 55292250) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one
PubChem CID55292250
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one
SMILESN[C@H](CCO)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H12N2O2/c9-7(3-4-11)6-1-2-8(12)10-5-6/h1-2,5,7,11H,3-4,9H2,(H,10,12)/t7-/m1/s1
InChIKeyHWDYAZCSOGMAQS-SSDOTTSWSA-N
XLogP-0.24
TPSA79.11 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 ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one
CID 55291962
5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
CID 105435949
2-(6-oxo-1H-pyridin-3-yl)propanediamide
CID 173126587
5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
CID 170818894
(3R)-3-amino-3-(5-bromo-1H-pyrrol-3-yl)propan-1-ol
CID 131057053
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 55297171
5-[(1S,2S)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131145454
5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131115674
4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile
CID 131031111
4-[(1S)-1-amino-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171217673

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one (CID 55292250) is 5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one is N[C@H](CCO)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one?
The InChIKey is HWDYAZCSOGMAQS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-7(3-4-11)6-1-2-8(12)10-5-6/h1-2,5,7,11H,3-4,9H2,(H,10,12)/t7-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one?
5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one is sourced from PubChem (CID 55292250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).