2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid

C13H19N3O4 — CID 60825419

IUPAC2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
SMILESCN1N=C(C(=O)N(CC(=O)O)C2CCCC2)CCC1=O
InChIInChI=1S/C13H19N3O4/c1-15-11(17)7-6-10(14-15)13(20)16(8-12(18)19)9-4-2-3-5-9/h9H,2-8H2,1H3,(H,18,19)
InChIKeyFDKXDHWEKFPEJZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.45
Rot. Bonds4

About 2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid

2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid (PubChem CID 60825419) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
PubChem CID60825419
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
SMILESCN1N=C(C(=O)N(CC(=O)O)C2CCCC2)CCC1=O
InChIInChI=1S/C13H19N3O4/c1-15-11(17)7-6-10(14-15)13(20)16(8-12(18)19)9-4-2-3-5-9/h9H,2-8H2,1H3,(H,18,19)
InChIKeyFDKXDHWEKFPEJZ-UHFFFAOYSA-N
XLogP0.45
TPSA90.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
CID 107423423
N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51075316
2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)azepane-2-carboxylic acid
CID 64559358
2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
CID 60825576
2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
CID 102891286
N-cyclopentyl-1-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
CID 86794824
2-[cyclopentyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 64669041
2-[cyclopentyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60825266
1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46643836
2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid
CID 54926471
N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24616917

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid (CID 60825419) is 2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid is CN1N=C(C(=O)N(CC(=O)O)C2CCCC2)CCC1=O.
What is the InChIKey of 2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
The InChIKey is FDKXDHWEKFPEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-15-11(17)7-6-10(14-15)13(20)16(8-12(18)19)9-4-2-3-5-9/h9H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 60825419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).