(2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid

C8H10N2O3 — CID 107427809

IUPAC(2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn([C@@H](C)C(=O)O)c(=O)c1
InChIInChI=1S/C8H10N2O3/c1-5-3-7(11)10(9-4-5)6(2)8(12)13/h3-4,6H,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyHKAITALYOADHAZ-LURJTMIESA-N
MW182.18 g/mol
LogP0.20
Rot. Bonds2

About (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid

(2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 107427809) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
PubChem CID107427809
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn([C@@H](C)C(=O)O)c(=O)c1
InChIInChI=1S/C8H10N2O3/c1-5-3-7(11)10(9-4-5)6(2)8(12)13/h3-4,6H,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyHKAITALYOADHAZ-LURJTMIESA-N
XLogP0.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluoro-6-oxopyridazin-1-yl)propanoic acid
CID 162727173
2-(4-Fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 162727474
(2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 175703311
2-Fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
CID 106548422
2-(6-oxopyridazin-1(6H)-yl)propanoic acid
CID 52992014
ethyl 2-[4-methyl-6-oxopyridazin-1(6H)-yl]propanoate
CID 66939398
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
4-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 143878452
2-(6-Oxopyridazin-1-yl)butanoic acid
CID 156207441
(2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid
CID 162727407

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (CID 107427809) is (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is Cc1cnn([C@@H](C)C(=O)O)c(=O)c1.
What is the InChIKey of (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is HKAITALYOADHAZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-3-7(11)10(9-4-5)6(2)8(12)13/h3-4,6H,1-2H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
(2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 107427809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).