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

C13H17N3O5 — CID 43358900

IUPAC1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H17N3O5/c17-9-4-5-11(19)16(15-9)8-10(18)14-13(12(20)21)6-2-1-3-7-13/h4-5H,1-3,6-8H2,(H,14,18)(H,15,17)(H,20,21)
InChIKeyWIUPTQMCOANVLO-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.56
Rot. Bonds4

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

1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 43358900) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID43358900
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H17N3O5/c17-9-4-5-11(19)16(15-9)8-10(18)14-13(12(20)21)6-2-1-3-7-13/h4-5H,1-3,6-8H2,(H,14,18)(H,15,17)(H,20,21)
InChIKeyWIUPTQMCOANVLO-UHFFFAOYSA-N
XLogP-0.56
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[2-(Prop-2-enoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 156867846
7-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]heptanoic acid
CID 43172044
1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43360213
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid
CID 43469656
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylpentanoic acid
CID 43618794
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810351
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520574
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63044370
6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylhexanoic acid
CID 64365942
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azepane-2-carboxylic acid
CID 64560125
2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentyl]acetic acid
CID 64671033
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64815205

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 43358900) is 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cn1[nH]c(=O)ccc1=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WIUPTQMCOANVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-9-4-5-11(19)16(15-9)8-10(18)14-13(12(20)21)6-2-1-3-7-13/h4-5H,1-3,6-8H2,(H,14,18)(H,15,17)(H,20,21).
What are the key properties of 1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of -0.56, 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43358900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).