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

C13H17N3O5 — CID 64815205

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H17N3O5/c17-10-5-6-12(19)16(15-10)7-11(18)14-9-4-2-1-3-8(9)13(20)21/h5-6,8-9H,1-4,7H2,(H,14,18)(H,15,17)(H,20,21)
InChIKeyMSONJJDAGWVVME-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.70
Rot. Bonds4

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64815205) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64815205
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H17N3O5/c17-10-5-6-12(19)16(15-10)7-11(18)14-9-4-2-1-3-8(9)13(20)21/h5-6,8-9H,1-4,7H2,(H,14,18)(H,15,17)(H,20,21)
InChIKeyMSONJJDAGWVVME-UHFFFAOYSA-N
XLogP-0.70
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

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]cyclohexane-1-carboxylic acid
CID 43358900
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810351
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid
CID 61009806
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
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]cyclopentane-1-carboxylic acid
CID 64813087
2-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]pentanoic acid
CID 65218473
7-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 65521552
2-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65897018
2-[[2-(Prop-2-enylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 79278974

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 64815205) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MSONJJDAGWVVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-10-5-6-12(19)16(15-10)7-11(18)14-9-4-2-1-3-8(9)13(20)21/h5-6,8-9H,1-4,7H2,(H,14,18)(H,15,17)(H,20,21).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64815205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).