2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid

C11H14ClN3O3 — CID 114036847

IUPAC2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc(Cl)nn1)C(=O)O
InChIInChI=1S/C11H14ClN3O3/c1-2-3-7(11(17)18)6-13-10(16)8-4-5-9(12)15-14-8/h4-5,7H,2-3,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyNGWBATLSEDYSCX-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.36
Rot. Bonds6

About 2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid

2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid (PubChem CID 114036847) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid
PubChem CID114036847
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc(Cl)nn1)C(=O)O
InChIInChI=1S/C11H14ClN3O3/c1-2-3-7(11(17)18)6-13-10(16)8-4-5-9(12)15-14-8/h4-5,7H,2-3,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyNGWBATLSEDYSCX-UHFFFAOYSA-N
XLogP1.36
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid (CID 114036847) is 2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1ccc(Cl)nn1)C(=O)O.
What is the InChIKey of 2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is NGWBATLSEDYSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-2-3-7(11(17)18)6-13-10(16)8-4-5-9(12)15-14-8/h4-5,7H,2-3,6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid?
2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 271.70 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 114036847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).