4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid

C9H10N2O3S — CID 79554707

IUPAC4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid
SMILESCC(Sc1ccnc(C(=O)O)c1)C(N)=O
InChIInChI=1S/C9H10N2O3S/c1-5(8(10)12)15-6-2-3-11-7(4-6)9(13)14/h2-5H,1H3,(H2,10,12)(H,13,14)
InChIKeyGANPRFHLWLSWTR-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.75
Rot. Bonds4

About 4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid

4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid (PubChem CID 79554707) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid
PubChem CID79554707
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid
SMILESCC(Sc1ccnc(C(=O)O)c1)C(N)=O
InChIInChI=1S/C9H10N2O3S/c1-5(8(10)12)15-6-2-3-11-7(4-6)9(13)14/h2-5H,1H3,(H2,10,12)(H,13,14)
InChIKeyGANPRFHLWLSWTR-UHFFFAOYSA-N
XLogP0.75
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid (CID 79554707) is 4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid is CC(Sc1ccnc(C(=O)O)c1)C(N)=O.
What is the InChIKey of 4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is GANPRFHLWLSWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-5(8(10)12)15-6-2-3-11-7(4-6)9(13)14/h2-5H,1H3,(H2,10,12)(H,13,14).
What are the key properties of 4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid?
4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 79554707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).