5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one

C8H12N2O2 — CID 55263698

IUPAC5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc([C@H](N)CO)c[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-5-2-6(7(9)4-11)3-10-8(5)12/h2-3,7,11H,4,9H2,1H3,(H,10,12)/t7-/m1/s1
InChIKeyQKYMVMKEGGVJST-SSDOTTSWSA-N
MW168.20 g/mol
LogP-0.32
Rot. Bonds2

About 5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one

5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one (PubChem CID 55263698) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one
PubChem CID55263698
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc([C@H](N)CO)c[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-5-2-6(7(9)4-11)3-10-8(5)12/h2-3,7,11H,4,9H2,1H3,(H,10,12)/t7-/m1/s1
InChIKeyQKYMVMKEGGVJST-SSDOTTSWSA-N
XLogP-0.32
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 ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one (CID 55263698) is 5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one is Cc1cc([C@H](N)CO)c[nH]c1=O.
What is the InChIKey of 5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one?
The InChIKey is QKYMVMKEGGVJST-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-2-6(7(9)4-11)3-10-8(5)12/h2-3,7,11H,4,9H2,1H3,(H,10,12)/t7-/m1/s1.
What are the key properties of 5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one?
5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-hydroxyethyl]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 55263698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).