3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid

C10H14ClN3O2 — CID 62853490

IUPAC3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O2/c1-3-14(6-7(2)10(15)16)9-5-4-8(11)12-13-9/h4-5,7H,3,6H2,1-2H3,(H,15,16)
InChIKeyCEAGDXLCKJJITG-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.68
Rot. Bonds5

About 3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid

3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid (PubChem CID 62853490) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid
PubChem CID62853490
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O2/c1-3-14(6-7(2)10(15)16)9-5-4-8(11)12-13-9/h4-5,7H,3,6H2,1-2H3,(H,15,16)
InChIKeyCEAGDXLCKJJITG-UHFFFAOYSA-N
XLogP1.68
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 66279259
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
2-[(2-amino-2-oxoethyl)-(6-chloropyridazin-3-yl)amino]acetamide
CID 62922304
3-[ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]-2-methylpropanoic acid
CID 65060726
3-[1,2,4-benzotriazin-3-yl(ethyl)amino]-2-methylpropanoic acid
CID 103203754
3-[(5-chloro-2-pyridinyl)-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82319223
2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424760
4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid
CID 66247052
3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 79470761
3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid
CID 82318878
3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 63208615
3-(5-chloro-2-cyano-N-ethylanilino)-2-methylpropanoic acid
CID 63083281

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid (CID 62853490) is 3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)c1ccc(Cl)nn1.
What is the InChIKey of 3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is CEAGDXLCKJJITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-3-14(6-7(2)10(15)16)9-5-4-8(11)12-13-9/h4-5,7H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid?
3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 243.69 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62853490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).