4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one

C9H14N2O2 — CID 130673654

IUPAC4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one
SMILESCCC[C@H](N)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-2-3-7(10)6-4-8(12)11-9(13)5-6/h4-5,7H,2-3,10H2,1H3,(H2,11,12,13)/t7-/m0/s1
InChIKeyHZHMFFOJFXZNCP-ZETCQYMHSA-N
MW182.22 g/mol
LogP0.88
Rot. Bonds3

About 4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one

4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one (PubChem CID 130673654) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one
PubChem CID130673654
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one
SMILESCCC[C@H](N)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-2-3-7(10)6-4-8(12)11-9(13)5-6/h4-5,7H,2-3,10H2,1H3,(H2,11,12,13)/t7-/m0/s1
InChIKeyHZHMFFOJFXZNCP-ZETCQYMHSA-N
XLogP0.88
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-1-aminobutyl]-6-hydroxy-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

Related Compounds

4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one
CID 130658838
4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one
CID 131037925
5-[(1S)-1-aminobutyl]benzene-1,3-diol;hydrochloride
CID 171219418
4-(1-aminobutyl)-2,6-dimethylphenol
CID 55296178
4-[(1S)-1-aminobutyl]-2,6-diiodophenol
CID 130705727
4-[(R)-amino(cyclobutyl)methyl]-6-hydroxy-1H-pyridin-2-one
CID 130638199
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
ethane;4-ethyl-6-hydroxy-1H-pyridin-2-one
CID 142275083
5-[(1R)-1-aminobutyl]pyridin-3-ol
CID 55276968
1-(5-methylfuran-3-yl)butan-1-amine
CID 82416831
6-hydroxy-4-propanoyl-1H-pyridin-2-one
CID 89330875
5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one
CID 82172936

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one (CID 130673654) is 4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one is CCC[C@H](N)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one?
The InChIKey is HZHMFFOJFXZNCP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-7(10)6-4-8(12)11-9(13)5-6/h4-5,7H,2-3,10H2,1H3,(H2,11,12,13)/t7-/m0/s1.
What are the key properties of 4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one?
4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130673654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).