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

C11H13N3O5 — CID 81158428

IUPAC1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H13N3O5/c15-7-2-3-9(17)14(13-7)6-8(16)12-11(10(18)19)4-1-5-11/h2-3H,1,4-6H2,(H,12,16)(H,13,15)(H,18,19)
InChIKeyLQLYNIXBMOJECU-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.34
Rot. Bonds4

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

1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81158428) 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]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81158428
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H13N3O5/c15-7-2-3-9(17)14(13-7)6-8(16)12-11(10(18)19)4-1-5-11/h2-3H,1,4-6H2,(H,12,16)(H,13,15)(H,18,19)
InChIKeyLQLYNIXBMOJECU-UHFFFAOYSA-N
XLogP-1.34
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170139
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 43170362
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]amino]cyclopentane-1-carboxylic acid
CID 43360213
2-cyclopropyl-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43360296
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpentanoic acid
CID 43618794
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpentanoate
CID 43623889
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanoic acid
CID 43630713
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanedioic acid
CID 60830974
(2S)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 61136916
(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

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 81158428) is 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid is O=C(Cn1[nH]c(=O)ccc1=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is LQLYNIXBMOJECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-7-2-3-9(17)14(13-7)6-8(16)12-11(10(18)19)4-1-5-11/h2-3H,1,4-6H2,(H,12,16)(H,13,15)(H,18,19).
What are the key properties of 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 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]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).