2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid

C11H15N3O3 — CID 114393803

IUPAC2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H15N3O3/c1-8(11(16)17)14-10(15)6-9(7-12-14)13-4-2-3-5-13/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyYCIDSKCQJULFEM-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.49
Rot. Bonds3

About 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid

2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid (PubChem CID 114393803) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
PubChem CID114393803
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H15N3O3/c1-8(11(16)17)14-10(15)6-9(7-12-14)13-4-2-3-5-13/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyYCIDSKCQJULFEM-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
CID 114393812
2-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetic acid
CID 114393853
2-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-fluoroacetic acid
CID 114393993
2-[4-(Diethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetic acid
CID 114394037
2-Fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid
CID 114394094
4-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoic acid
CID 113579303
2-Methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
CID 113579311
2-(6-Oxo-4-piperidin-1-ylpyridazin-1-yl)propanoic acid
CID 113579325
2-[4-[2-Methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoic acid
CID 113579333
2-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
CID 114393804
3-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
CID 114393805
Ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate
CID 114393809

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid?
The IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid (CID 114393803) is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid is CC(C(=O)O)n1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid?
The InChIKey is YCIDSKCQJULFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(11(16)17)14-10(15)6-9(7-12-14)13-4-2-3-5-13/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid?
2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid is sourced from PubChem (CID 114393803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).