2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid

C9H13N3O2 — CID 82400443

IUPAC2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid
SMILESCc1ccc(CC(CN)C(=O)O)nn1
InChIInChI=1S/C9H13N3O2/c1-6-2-3-8(12-11-6)4-7(5-10)9(13)14/h2-3,7H,4-5,10H2,1H3,(H,13,14)
InChIKeyMCUWBLACMMDDGQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.01
Rot. Bonds4

About 2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid

2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid (PubChem CID 82400443) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid
PubChem CID82400443
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid
SMILESCc1ccc(CC(CN)C(=O)O)nn1
InChIInChI=1S/C9H13N3O2/c1-6-2-3-8(12-11-6)4-7(5-10)9(13)14/h2-3,7H,4-5,10H2,1H3,(H,13,14)
InChIKeyMCUWBLACMMDDGQ-UHFFFAOYSA-N
XLogP-0.01
TPSA89.10 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 ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methylpyridazin-3-yl)propan-2-ol
CID 55161825
3-(6-methylpyridazin-3-yl)propanoic acid
CID 23008642
2-(aminomethyl)-3-(5-methyl-2H-triazol-4-yl)propanoic acid
CID 82406730
2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82406292
3-methyl-6-[(6-methylpyridazin-3-yl)methyl]pyridazine
CID 59592002
(2S)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329580
(2R)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329583
2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid
CID 82398939
(2R)-2-(aminomethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 42079765
1-bromo-3-(6-methylpyridazin-3-yl)propan-2-one
CID 58348382
(2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 170897457
(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid
CID 29061371

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid (CID 82400443) is 2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid is Cc1ccc(CC(CN)C(=O)O)nn1.
What is the InChIKey of 2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid?
The InChIKey is MCUWBLACMMDDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-2-3-8(12-11-6)4-7(5-10)9(13)14/h2-3,7H,4-5,10H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid?
2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(6-methylpyridazin-3-yl)propanoic acid is sourced from PubChem (CID 82400443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).