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

C10H13N3O3 — CID 114393804

IUPAC2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C10H13N3O3/c14-9-5-8(12-3-1-2-4-12)6-11-13(9)7-10(15)16/h5-6H,1-4,7H2,(H,15,16)
InChIKeyMJXLJKVDEODJDG-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.07
Rot. Bonds3

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

2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid (PubChem CID 114393804) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
PubChem CID114393804
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C10H13N3O3/c14-9-5-8(12-3-1-2-4-12)6-11-13(9)7-10(15)16/h5-6H,1-4,7H2,(H,15,16)
InChIKeyMJXLJKVDEODJDG-UHFFFAOYSA-N
XLogP-0.07
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate
CID 113579305
2-Fluoro-2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 113579366
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-Fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid
CID 114393914
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
2-(5-Chloro-6-oxo-4-(pyrrolidin-1-yl)pyridazin-1(6H)-yl)acetic acid
CID 97619506
3-Methyl-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)but-2-enoic acid
CID 104920868
4-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoic acid
CID 113579303
Propan-2-yl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate
CID 113579304

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid?
The IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid (CID 114393804) is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid?
The canonical SMILES for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid is O=C(O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid?
The InChIKey is MJXLJKVDEODJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-5-8(12-3-1-2-4-12)6-11-13(9)7-10(15)16/h5-6H,1-4,7H2,(H,15,16).
What are the key properties of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid?
2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid has a molecular weight of 223.23 g/mol, XLogP of -0.07, 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)acetic acid is sourced from PubChem (CID 114393804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).