2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid

C9H13N3O2 — CID 106895586

IUPAC2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid
SMILESCC(CNCc1cccnn1)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-7(9(13)14)5-10-6-8-3-2-4-11-12-8/h2-4,7,10H,5-6H2,1H3,(H,13,14)
InChIKeyMZMZLIXCVDXGLW-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.29
Rot. Bonds5

About 2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid

2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid (PubChem CID 106895586) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid
PubChem CID106895586
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid
SMILESCC(CNCc1cccnn1)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-7(9(13)14)5-10-6-8-3-2-4-11-12-8/h2-4,7,10H,5-6H2,1H3,(H,13,14)
InChIKeyMZMZLIXCVDXGLW-UHFFFAOYSA-N
XLogP0.29
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(pyridazin-3-ylmethylamino)propanamide
CID 106895597
2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895779
N-methyl-N-propan-2-yl-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895876
tert-butyl N-[3-methyl-2-[(pyridazin-3-ylmethylamino)methyl]butyl]carbamate
CID 107442905
(2S)-3-methyl-2-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897193
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
2-[(pyridazin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 106897275
3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897084
5-(pyridazin-3-ylmethylamino)pentanoic acid
CID 106896706
(2S)-2-(pyridazin-3-ylmethylcarbamoylamino)butanedioic acid
CID 106897236
N-phenyl-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895878
methyl 2-(pyridazin-3-ylmethylamino)butanoate
CID 106895144

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid (CID 106895586) is 2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid is CC(CNCc1cccnn1)C(=O)O.
What is the InChIKey of 2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid?
The InChIKey is MZMZLIXCVDXGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7(9(13)14)5-10-6-8-3-2-4-11-12-8/h2-4,7,10H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid?
2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid is sourced from PubChem (CID 106895586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).