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

C12H15N3O5 — CID 61371085

IUPAC2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H15N3O5/c16-9-3-4-10(17)15(13-9)7-11(18)14-5-1-2-8(14)6-12(19)20/h3-4,8H,1-2,5-7H2,(H,13,16)(H,19,20)
InChIKeyIJFRSUODGAAKDN-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.00
Rot. Bonds4

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

2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61371085) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid
PubChem CID61371085
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H15N3O5/c16-9-3-4-10(17)15(13-9)7-11(18)14-5-1-2-8(14)6-12(19)20/h3-4,8H,1-2,5-7H2,(H,13,16)(H,19,20)
InChIKeyIJFRSUODGAAKDN-UHFFFAOYSA-N
XLogP-1.00
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid
CID 43170012
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43170885
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 43355959
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid
CID 43469656
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid
CID 61009806
(2S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137971
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813087
(2S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 66264702
(2R)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78921900
(2R)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 79034829
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79363468
3-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-3-yl]propanoic acid
CID 81721048

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid (CID 61371085) is 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is IJFRSUODGAAKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-3-4-10(17)15(13-9)7-11(18)14-5-1-2-8(14)6-12(19)20/h3-4,8H,1-2,5-7H2,(H,13,16)(H,19,20).
What are the key properties of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).