(2S)-2-(6-oxopyridazin-1-yl)propanoic acid

C7H8N2O3 — CID 51606317

IUPAC(2S)-2-(6-oxopyridazin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1ncccc1=O
InChIInChI=1S/C7H8N2O3/c1-5(7(11)12)9-6(10)3-2-4-8-9/h2-5H,1H3,(H,11,12)/t5-/m0/s1
InChIKeyZAKDXWSLVZHZLK-YFKPBYRVSA-N
MW168.15 g/mol
LogP-0.11
Rot. Bonds2

About (2S)-2-(6-oxopyridazin-1-yl)propanoic acid

(2S)-2-(6-oxopyridazin-1-yl)propanoic acid (PubChem CID 51606317) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2S)-2-(6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(6-oxopyridazin-1-yl)propanoic acid
PubChem CID51606317
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(2S)-2-(6-oxopyridazin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1ncccc1=O
InChIInChI=1S/C7H8N2O3/c1-5(7(11)12)9-6(10)3-2-4-8-9/h2-5H,1H3,(H,11,12)/t5-/m0/s1
InChIKeyZAKDXWSLVZHZLK-YFKPBYRVSA-N
XLogP-0.11
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 1415536
3-Oxo-2,3-dihydropyridazine-2-propanoic acid
CID 62850301
2-(4-Fluoro-6-oxopyridazin-1-yl)propanoic acid
CID 162727173
2-(3-Methyl-6-oxo-1,6-dihydropyridazin-1-yl)propanoic acid
CID 24252592
2-Fluoro-2-(6-oxopyridazin-1-yl)acetic acid
CID 81296780
Methyl 2-(6-oxohydropyridazinyl)acetate
CID 46786410
2-(6-oxopyridazin-1(6H)-yl)propanoic acid
CID 52992014
2-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 66939422
2-(4-Methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 66939440
2-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 69081059
2-(6-Oxopyridazin-1-yl)butanedioic acid
CID 142764254
2-(6-Oxopyridazin-1-yl)butanoic acid
CID 156207441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(6-oxopyridazin-1-yl)propanoic acid (CID 51606317) is (2S)-2-(6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(6-oxopyridazin-1-yl)propanoic acid is C[C@@H](C(=O)O)n1ncccc1=O.
What is the InChIKey of (2S)-2-(6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is ZAKDXWSLVZHZLK-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5(7(11)12)9-6(10)3-2-4-8-9/h2-5H,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-(6-oxopyridazin-1-yl)propanoic acid?
(2S)-2-(6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 168.15 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 51606317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).