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

C13H17N3O5 — CID 60827288

IUPAC2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CCCC1
InChIInChI=1S/C13H17N3O5/c17-10-5-6-11(18)16(14-10)7-12(19)15(8-13(20)21)9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,17)(H,20,21)
InChIKeyBEIRNYLUTKXBPV-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.61
Rot. Bonds5

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

2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid (PubChem CID 60827288) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
PubChem CID60827288
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CCCC1
InChIInChI=1S/C13H17N3O5/c17-10-5-6-11(18)16(14-10)7-12(19)15(8-13(20)21)9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,17)(H,20,21)
InChIKeyBEIRNYLUTKXBPV-UHFFFAOYSA-N
XLogP-0.61
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid (CID 60827288) is 2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid is O=C(O)CN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The InChIKey is BEIRNYLUTKXBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-10-5-6-11(18)16(14-10)7-12(19)15(8-13(20)21)9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,17)(H,20,21).
What are the key properties of 2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid has a molecular weight of 295.29 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 60827288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).