3-methyl-2-(pyridazin-3-ylamino)butanoic acid

C9H13N3O2 — CID 82239340

IUPAC3-methyl-2-(pyridazin-3-ylamino)butanoic acid
SMILESCC(C)C(Nc1cccnn1)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-6(2)8(9(13)14)11-7-4-3-5-10-12-7/h3-6,8H,1-2H3,(H,11,12)(H,13,14)
InChIKeyFKYVSOCGHVBSBB-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.00
Rot. Bonds4

About 3-methyl-2-(pyridazin-3-ylamino)butanoic acid

3-methyl-2-(pyridazin-3-ylamino)butanoic acid (PubChem CID 82239340) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-methyl-2-(pyridazin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(pyridazin-3-ylamino)butanoic acid
PubChem CID82239340
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-methyl-2-(pyridazin-3-ylamino)butanoic acid
SMILESCC(C)C(Nc1cccnn1)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-6(2)8(9(13)14)11-7-4-3-5-10-12-7/h3-6,8H,1-2H3,(H,11,12)(H,13,14)
InChIKeyFKYVSOCGHVBSBB-UHFFFAOYSA-N
XLogP1.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
CID 59166574
2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
(2S)-3-methyl-2-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897193
methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate
CID 114998596
(2S)-2-anilino-3-methylbutanoic acid;hydrochloride
CID 70534488
N-pentan-3-ylpyridazin-3-amine
CID 62482228
3-amino-N-pyridazin-3-ylbutanamide
CID 126973262
2-(cinnolin-4-ylamino)-3-methylbutanoic acid
CID 63587102
3-methyl-2-pyridazin-3-ylsulfanylbutanoic acid
CID 105355359
3-methyl-2-(quinolin-6-ylamino)butanoic acid
CID 82539325
2-methylpropyl N-pyridazin-3-ylcarbamate
CID 68882705
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid
CID 120964362

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyridazin-3-ylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(pyridazin-3-ylamino)butanoic acid (CID 82239340) is 3-methyl-2-(pyridazin-3-ylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(pyridazin-3-ylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(pyridazin-3-ylamino)butanoic acid is CC(C)C(Nc1cccnn1)C(=O)O.
What is the InChIKey of 3-methyl-2-(pyridazin-3-ylamino)butanoic acid?
The InChIKey is FKYVSOCGHVBSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)8(9(13)14)11-7-4-3-5-10-12-7/h3-6,8H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-methyl-2-(pyridazin-3-ylamino)butanoic acid?
3-methyl-2-(pyridazin-3-ylamino)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyridazin-3-ylamino)butanoic acid is sourced from PubChem (CID 82239340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).