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

C12H15N3O5 — CID 79846515

IUPAC2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cn2[nH]c(=O)ccc2=O)CCC1
InChIInChI=1S/C12H15N3O5/c16-8-2-3-10(18)15(14-8)7-9(17)13-12(4-1-5-12)6-11(19)20/h2-3H,1,4-7H2,(H,13,17)(H,14,16)(H,19,20)
InChIKeyRCJUXIPHNFCXTM-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.95
Rot. Bonds5

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

2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79846515) 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]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID79846515
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cn2[nH]c(=O)ccc2=O)CCC1
InChIInChI=1S/C12H15N3O5/c16-8-2-3-10(18)15(14-8)7-9(17)13-12(4-1-5-12)6-11(19)20/h2-3H,1,4-7H2,(H,13,17)(H,14,16)(H,19,20)
InChIKeyRCJUXIPHNFCXTM-UHFFFAOYSA-N
XLogP-0.95
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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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]amino]cyclopentane-1-carboxylic acid
CID 43360213
6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylhexanoic acid
CID 64365942
2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentyl]acetic acid
CID 64671033
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 64672896
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813087
1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158428
2-[1-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81163595
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid
CID 81981247
3-cyclopropyl-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 81987208
1-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432882
1-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445079

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid (CID 79846515) is 2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)Cn2[nH]c(=O)ccc2=O)CCC1.
What is the InChIKey of 2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is RCJUXIPHNFCXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-8-2-3-10(18)15(14-8)7-9(17)13-12(4-1-5-12)6-11(19)20/h2-3H,1,4-7H2,(H,13,17)(H,14,16)(H,19,20).
What are the key properties of 2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -0.95, 5 rotatable bonds, 3 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]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).