2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid

C15H23N3O3 — CID 114397986

IUPAC2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid
SMILESCC(C)(CCCn1ncc(N2CCCC2)cc1=O)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-15(2,14(20)21)6-5-9-18-13(19)10-12(11-16-18)17-7-3-4-8-17/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeyBTNYERXLNPAZOW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.73
Rot. Bonds6

About 2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid

2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid (PubChem CID 114397986) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid
PubChem CID114397986
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid
SMILESCC(C)(CCCn1ncc(N2CCCC2)cc1=O)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-15(2,14(20)21)6-5-9-18-13(19)10-12(11-16-18)17-7-3-4-8-17/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeyBTNYERXLNPAZOW-UHFFFAOYSA-N
XLogP1.73
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxylic acid
CID 90487989
2,2-Dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid
CID 65254803
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxylic acid
CID 99728090
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxylic acid
CID 99728091
2,2-Dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106549139
6-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanoic acid
CID 106714216
6-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylhexanoic acid
CID 106714217
5-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid
CID 113579308
5-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid
CID 113579747
6-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanoic acid
CID 114393817
5-[4-(Dimethylamino)-6-oxopyridazin-1-yl]pentanoic acid
CID 114393864
5-(6-Oxo-4-piperidin-1-ylpyridazin-1-yl)pentanoic acid
CID 114393920

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid (CID 114397986) is 2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid is CC(C)(CCCn1ncc(N2CCCC2)cc1=O)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid?
The InChIKey is BTNYERXLNPAZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,14(20)21)6-5-9-18-13(19)10-12(11-16-18)17-7-3-4-8-17/h10-11H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid?
2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid is sourced from PubChem (CID 114397986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).