2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid

C13H17N3O3 — CID 116786341

IUPAC2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2cccnn2)CCCC1
InChIInChI=1S/C13H17N3O3/c17-11(15-10-4-3-7-14-16-10)8-13(9-12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,15,16,17)
InChIKeyWUVDMGJSJBOCQG-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.84
Rot. Bonds5

About 2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 116786341) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid
PubChem CID116786341
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2cccnn2)CCCC1
InChIInChI=1S/C13H17N3O3/c17-11(15-10-4-3-7-14-16-10)8-13(9-12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,15,16,17)
InChIKeyWUVDMGJSJBOCQG-UHFFFAOYSA-N
XLogP1.84
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 103094005
2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662542
2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738329
2-[1-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 61403615
2-(2-bromo-1-bicyclo[2.2.2]octanyl)-N-pyridazin-3-ylacetamide
CID 141254022
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114931870
2-[1-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]cyclopentyl]acetic acid
CID 81392956
2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 2738302
2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31616634
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 18877711
2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662604

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid (CID 116786341) is 2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)Nc2cccnn2)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is WUVDMGJSJBOCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-11(15-10-4-3-7-14-16-10)8-13(9-12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 116786341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).