N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

C11H17N2O2+ — CID 8773444

IUPACN-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESCC[C@H](C)NC(=O)C[n+]1cccc(O)c1
InChIInChI=1S/C11H16N2O2/c1-3-9(2)12-11(15)8-13-6-4-5-10(14)7-13/h4-7,9H,3,8H2,1-2H3,(H-,12,14,15)/p+1/t9-/m0/s1
InChIKeyGNOQVBLRNJGBKO-VIFPVBQESA-O
MW209.27 g/mol
LogP0.59
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (PubChem CID 8773444) has the molecular formula C11H17N2O2+ and a molecular weight of 209.27 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
PubChem CID8773444
Molecular FormulaC11H17N2O2+
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC NameN-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESCC[C@H](C)NC(=O)C[n+]1cccc(O)c1
InChIInChI=1S/C11H16N2O2/c1-3-9(2)12-11(15)8-13-6-4-5-10(14)7-13/h4-7,9H,3,8H2,1-2H3,(H-,12,14,15)/p+1/t9-/m0/s1
InChIKeyGNOQVBLRNJGBKO-VIFPVBQESA-O
XLogP0.59
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]-2-isoquinolin-2-ium-2-ylacetamide
CID 8828731
2-(3-hydroxypyridin-1-ium-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 8773586
2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide
CID 8876238
2-isoquinolin-2-ium-2-yl-N-pentan-3-ylacetamide
CID 8828745
2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide
CID 8751051
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8864031
3-amino-N-butan-2-ylpropanamide
CID 16784988
2-(3-acetylpyridin-1-ium-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8831082
N-[4-[(2R)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876594
2-(3-acetylpyridin-1-ium-1-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 8831329
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
2-(3-acetylpyridin-1-ium-1-yl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 8830477

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (CID 8773444) is N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is CC[C@H](C)NC(=O)C[n+]1cccc(O)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The InChIKey is GNOQVBLRNJGBKO-VIFPVBQESA-O. The full InChI is InChI=1S/C11H16N2O2/c1-3-9(2)12-11(15)8-13-6-4-5-10(14)7-13/h4-7,9H,3,8H2,1-2H3,(H-,12,14,15)/p+1/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide has a molecular weight of 209.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8773444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).