3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one

C8H12N2O2 — CID 55275061

IUPAC3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one
SMILESC[C@@](N)(CO)c1ccc[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-8(9,5-11)6-3-2-4-10-7(6)12/h2-4,11H,5,9H2,1H3,(H,10,12)/t8-/m1/s1
InChIKeyNYBBKMIJSNUXOG-MRVPVSSYSA-N
MW168.20 g/mol
LogP-0.46
Rot. Bonds2

About 3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one

3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one (PubChem CID 55275061) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one
PubChem CID55275061
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one
SMILESC[C@@](N)(CO)c1ccc[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-8(9,5-11)6-3-2-4-10-7(6)12/h2-4,11H,5,9H2,1H3,(H,10,12)/t8-/m1/s1
InChIKeyNYBBKMIJSNUXOG-MRVPVSSYSA-N
XLogP-0.46
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one (CID 55275061) is 3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one is C[C@@](N)(CO)c1ccc[nH]c1=O.
What is the InChIKey of 3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one?
The InChIKey is NYBBKMIJSNUXOG-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(9,5-11)6-3-2-4-10-7(6)12/h2-4,11H,5,9H2,1H3,(H,10,12)/t8-/m1/s1.
What are the key properties of 3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one?
3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 55275061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).