5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one

C10H16N2O2 — CID 131115674

IUPAC5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
SMILESCC(C)[C@@H](N)[C@H](O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H16N2O2/c1-6(2)9(11)10(14)7-3-4-8(13)12-5-7/h3-6,9-10,14H,11H2,1-2H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyZDVZTANSNUZZCX-NXEZZACHSA-N
MW196.25 g/mol
LogP0.39
Rot. Bonds3

About 5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one

5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one (PubChem CID 131115674) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
PubChem CID131115674
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
SMILESCC(C)[C@@H](N)[C@H](O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H16N2O2/c1-6(2)9(11)10(14)7-3-4-8(13)12-5-7/h3-6,9-10,14H,11H2,1-2H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyZDVZTANSNUZZCX-NXEZZACHSA-N
XLogP0.39
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1S,2S)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131145454
5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
CID 105435949
5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
CID 170818894
2,3-dihydroxy-3-(6-oxo-1H-pyridin-3-yl)propanenitrile
CID 171871292
3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide
CID 171900236
2-(6-oxo-1H-pyridin-3-yl)propanediamide
CID 173126587
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
CID 73115423
5-(4-bromo-1,2-dihydroxybutyl)-1H-pyridin-2-one
CID 171893071
5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one
CID 55292250
5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 55297171
5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-2-one
CID 55262975
5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one
CID 55291962

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one (CID 131115674) is 5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one is CC(C)[C@@H](N)[C@H](O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one?
The InChIKey is ZDVZTANSNUZZCX-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)9(11)10(14)7-3-4-8(13)12-5-7/h3-6,9-10,14H,11H2,1-2H3,(H,12,13)/t9-,10-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one?
5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one is sourced from PubChem (CID 131115674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).