1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid

C9H12N2O3 — CID 175531045

IUPAC1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid
SMILESC[C@H](N)Cn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C9H12N2O3/c1-6(10)5-11-3-2-7(9(13)14)4-8(11)12/h2-4,6H,5,10H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyWYONDBFOLUJCJU-LURJTMIESA-N
MW196.21 g/mol
LogP-0.11
Rot. Bonds3

About 1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid

1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 175531045) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid
PubChem CID175531045
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid
SMILESC[C@H](N)Cn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C9H12N2O3/c1-6(10)5-11-3-2-7(9(13)14)4-8(11)12/h2-4,6H,5,10H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyWYONDBFOLUJCJU-LURJTMIESA-N
XLogP-0.11
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid (CID 175531045) is 1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid is C[C@H](N)Cn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is WYONDBFOLUJCJU-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(10)5-11-3-2-7(9(13)14)4-8(11)12/h2-4,6H,5,10H2,1H3,(H,13,14)/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid?
1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 175531045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).