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

C11H13N3O5 — CID 43170885

IUPAC1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H13N3O5/c15-8-3-4-9(16)14(12-8)6-10(17)13-5-1-2-7(13)11(18)19/h3-4,7H,1-2,5-6H2,(H,12,15)(H,18,19)
InChIKeyXBVDWAPPHGPFIO-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.39
Rot. Bonds3

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

1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 43170885) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID43170885
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H13N3O5/c15-8-3-4-9(16)14(12-8)6-10(17)13-5-1-2-7(13)11(18)19/h3-4,7H,1-2,5-6H2,(H,12,15)(H,18,19)
InChIKeyXBVDWAPPHGPFIO-UHFFFAOYSA-N
XLogP-1.39
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Prop-2-enoylamino)pyrrolidine-2-carboxylic acid
CID 152635743
(2R)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 156867664
(2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 156867883
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 43355959
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356785
5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 43358644
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
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanoic acid
CID 43630713
(2S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137971
(2S)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 61144341
(2S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151679

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 43170885) is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XBVDWAPPHGPFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-3-4-9(16)14(12-8)6-10(17)13-5-1-2-7(13)11(18)19/h3-4,7H,1-2,5-6H2,(H,12,15)(H,18,19).
What are the key properties of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.39, 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]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43170885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).