3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid

C12H16N4O3 — CID 112735032

IUPAC3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid
SMILESCNC(=O)c1ccc(NC(CC2CC2)C(=O)O)nn1
InChIInChI=1S/C12H16N4O3/c1-13-11(17)8-4-5-10(16-15-8)14-9(12(18)19)6-7-2-3-7/h4-5,7,9H,2-3,6H2,1H3,(H,13,17)(H,14,16)(H,18,19)
InChIKeyOFYMGVBDQOVPHD-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.50
Rot. Bonds6

About 3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid

3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid (PubChem CID 112735032) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid
PubChem CID112735032
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid
SMILESCNC(=O)c1ccc(NC(CC2CC2)C(=O)O)nn1
InChIInChI=1S/C12H16N4O3/c1-13-11(17)8-4-5-10(16-15-8)14-9(12(18)19)6-7-2-3-7/h4-5,7,9H,2-3,6H2,1H3,(H,13,17)(H,14,16)(H,18,19)
InChIKeyOFYMGVBDQOVPHD-UHFFFAOYSA-N
XLogP0.50
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-cyclohexyl-2-[(6-methylsulfonylpyridazin-3-yl)amino]propanoic acid
CID 166400183
6-[(1-cyclohexyl-3-hydroxypropyl)amino]-N-methylpyridazine-3-carboxamide
CID 133339706
6-[[(2R)-1-hydroxybutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
CID 133434733
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939
6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79214306
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 133495244
2-[(6-methoxycarbonylpyridazin-3-yl)amino]pentanoic acid
CID 60790857
6-[2-[cyclopropyl(methyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
CID 103718448
N-methyl-6-(1-pyridin-4-ylpropylamino)pyridazine-3-carboxamide
CID 133340260
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide
CID 80697257

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid (CID 112735032) is 3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid is CNC(=O)c1ccc(NC(CC2CC2)C(=O)O)nn1.
What is the InChIKey of 3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid?
The InChIKey is OFYMGVBDQOVPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-13-11(17)8-4-5-10(16-15-8)14-9(12(18)19)6-7-2-3-7/h4-5,7,9H,2-3,6H2,1H3,(H,13,17)(H,14,16)(H,18,19).
What are the key properties of 3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid?
3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid is sourced from PubChem (CID 112735032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).