1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid

C12H15N3O5 — CID 102775798

IUPAC1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)C1C(=O)O
InChIInChI=1S/C12H15N3O5/c1-7-4-5-14(11(7)12(19)20)10(18)6-15-9(17)3-2-8(16)13-15/h2-3,7,11H,4-6H2,1H3,(H,13,16)(H,19,20)
InChIKeyDEIOVXMOPCQWIH-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.14
Rot. Bonds3

About 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid

1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102775798) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102775798
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)C1C(=O)O
InChIInChI=1S/C12H15N3O5/c1-7-4-5-14(11(7)12(19)20)10(18)6-15-9(17)3-2-8(16)13-15/h2-3,7,11H,4-6H2,1H3,(H,13,16)(H,19,20)
InChIKeyDEIOVXMOPCQWIH-UHFFFAOYSA-N
XLogP-1.14
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170139
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43170885
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylpentanoic acid
CID 43356405
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356785
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359664
methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 43410291
(2S)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 61136938
(2S,3S)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylpentanoic acid
CID 61137084
(2S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137971
(2S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151679
(2S)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylpentanoic acid
CID 61172929
ethyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 61600875

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102775798) is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)C1C(=O)O.
What is the InChIKey of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is DEIOVXMOPCQWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-7-4-5-14(11(7)12(19)20)10(18)6-15-9(17)3-2-8(16)13-15/h2-3,7,11H,4-6H2,1H3,(H,13,16)(H,19,20).
What are the key properties of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).