2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid

C13H17N3O4 — CID 64603756

IUPAC2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid
SMILESCCCn1nc(C(=O)N2CC(CC(=O)O)C2)ccc1=O
InChIInChI=1S/C13H17N3O4/c1-2-5-16-11(17)4-3-10(14-16)13(20)15-7-9(8-15)6-12(18)19/h3-4,9H,2,5-8H2,1H3,(H,18,19)
InChIKeyNRKZUUDYHOZHDG-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.20
Rot. Bonds5

About 2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid

2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64603756) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64603756
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid
SMILESCCCn1nc(C(=O)N2CC(CC(=O)O)C2)ccc1=O
InChIInChI=1S/C13H17N3O4/c1-2-5-16-11(17)4-3-10(14-16)13(20)15-7-9(8-15)6-12(18)19/h3-4,9H,2,5-8H2,1H3,(H,18,19)
InChIKeyNRKZUUDYHOZHDG-UHFFFAOYSA-N
XLogP0.20
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64604161
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592
1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-3-carboxamide
CID 78784806
6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
CID 18143303
6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 55466009
6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 106672046
2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one
CID 96565359
6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one
CID 121066845
N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33161659
6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 97028133
2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 43655583
2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 63651920

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid (CID 64603756) is 2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid is CCCn1nc(C(=O)N2CC(CC(=O)O)C2)ccc1=O.
What is the InChIKey of 2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is NRKZUUDYHOZHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-5-16-11(17)4-3-10(14-16)13(20)15-7-9(8-15)6-12(18)19/h3-4,9H,2,5-8H2,1H3,(H,18,19).
What are the key properties of 2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64603756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).