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

C12H15N3O5 — CID 64813087

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H15N3O5/c16-9-4-5-11(18)15(14-9)6-10(17)13-8-3-1-2-7(8)12(19)20/h4-5,7-8H,1-3,6H2,(H,13,17)(H,14,16)(H,19,20)
InChIKeyMPKVPWZRVZRNOS-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.09
Rot. Bonds4

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64813087) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64813087
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H15N3O5/c16-9-4-5-11(18)15(14-9)6-10(17)13-8-3-1-2-7(8)12(19)20/h4-5,7-8H,1-3,6H2,(H,13,17)(H,14,16)(H,19,20)
InChIKeyMPKVPWZRVZRNOS-UHFFFAOYSA-N
XLogP-1.09
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43360213
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61371085
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]cyclohexane-1-carboxylic acid
CID 64815205
2-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]pentanoic acid
CID 65218473
2-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65897018
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030733
2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclobutyl]acetic acid
CID 79846515
2-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]-4-methylpentanoic acid
CID 80119982
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 81979280

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 64813087) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1[nH]c(=O)ccc1=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MPKVPWZRVZRNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-4-5-11(18)15(14-9)6-10(17)13-8-3-1-2-7(8)12(19)20/h4-5,7-8H,1-3,6H2,(H,13,17)(H,14,16)(H,19,20).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.09, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).