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

C8H12N2O2 — CID 156587360

IUPAC3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one
SMILESN[C@H](CO)Cc1ccc[nH]c1=O
InChIInChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1
InChIKeyQZSOIZRKOUQRHW-ZETCQYMHSA-N
MW168.20 g/mol
LogP-0.76
Rot. Bonds3

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

3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one (PubChem CID 156587360) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one
PubChem CID156587360
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one
SMILESN[C@H](CO)Cc1ccc[nH]c1=O
InChIInChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1
InChIKeyQZSOIZRKOUQRHW-ZETCQYMHSA-N
XLogP-0.76
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 ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one (CID 156587360) is 3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one is N[C@H](CO)Cc1ccc[nH]c1=O.
What is the InChIKey of 3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one?
The InChIKey is QZSOIZRKOUQRHW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1.
What are the key properties of 3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one?
3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-3-hydroxypropyl]-1H-pyridin-2-one is sourced from PubChem (CID 156587360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).