5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one

C9H14N2O2 — CID 55294913

IUPAC5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1[C@@H](N)[C@H](C)O
InChIInChI=1S/C9H14N2O2/c1-5-7(9(10)6(2)12)3-4-8(13)11-5/h3-4,6,9,12H,10H2,1-2H3,(H,11,13)/t6-,9-/m0/s1
InChIKeyREFJLWOWRCPKJF-RCOVLWMOSA-N
MW182.22 g/mol
LogP0.06
Rot. Bonds2

About 5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one

5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one (PubChem CID 55294913) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one
PubChem CID55294913
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1[C@@H](N)[C@H](C)O
InChIInChI=1S/C9H14N2O2/c1-5-7(9(10)6(2)12)3-4-8(13)11-5/h3-4,6,9,12H,10H2,1-2H3,(H,11,13)/t6-,9-/m0/s1
InChIKeyREFJLWOWRCPKJF-RCOVLWMOSA-N
XLogP0.06
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-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 5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one (CID 55294913) is 5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)ccc1[C@@H](N)[C@H](C)O.
What is the InChIKey of 5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is REFJLWOWRCPKJF-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-7(9(10)6(2)12)3-4-8(13)11-5/h3-4,6,9,12H,10H2,1-2H3,(H,11,13)/t6-,9-/m0/s1.
What are the key properties of 5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one?
5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 55294913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).