2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid

C14H19N3O4 — CID 64604161

IUPAC2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid
SMILESCCCCn1nc(C(=O)N2CC(CC(=O)O)C2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-2-3-6-17-12(18)5-4-11(15-17)14(21)16-8-10(9-16)7-13(19)20/h4-5,10H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyPTFRMWUSHAZDOM-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.59
Rot. Bonds6

About 2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid

2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64604161) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64604161
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid
SMILESCCCCn1nc(C(=O)N2CC(CC(=O)O)C2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-2-3-6-17-12(18)5-4-11(15-17)14(21)16-8-10(9-16)7-13(19)20/h4-5,10H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyPTFRMWUSHAZDOM-UHFFFAOYSA-N
XLogP0.59
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid (CID 64604161) is 2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid is CCCCn1nc(C(=O)N2CC(CC(=O)O)C2)ccc1=O.
What is the InChIKey of 2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is PTFRMWUSHAZDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-3-6-17-12(18)5-4-11(15-17)14(21)16-8-10(9-16)7-13(19)20/h4-5,10H,2-3,6-9H2,1H3,(H,19,20).
What are the key properties of 2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).