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

C11H13N3O5 — CID 54946253

IUPAC2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CC1
InChIInChI=1S/C11H13N3O5/c15-8-3-4-9(16)14(12-8)5-10(17)13(6-11(18)19)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,12,15)(H,18,19)
InChIKeyCVWNDBZGEUAWST-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.39
Rot. Bonds5

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

2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid (PubChem CID 54946253) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
PubChem CID54946253
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CC1
InChIInChI=1S/C11H13N3O5/c15-8-3-4-9(16)14(12-8)5-10(17)13(6-11(18)19)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,12,15)(H,18,19)
InChIKeyCVWNDBZGEUAWST-UHFFFAOYSA-N
XLogP-1.39
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265081
2-(3,6-Dioxo-3,6-dihydropyridazin-1(2H)-yl)propanoic acid
CID 16787150
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170800
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 43354354
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
CID 43356157
2-[[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465285
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43469221
2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperazin-1-yl]acetic acid
CID 43521218
N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 43576696
2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 43655404
N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 45807909
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid
CID 54901506

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid (CID 54946253) is 2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[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)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The InChIKey is CVWNDBZGEUAWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-3-4-9(16)14(12-8)5-10(17)13(6-11(18)19)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,12,15)(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid has a molecular weight of 267.24 g/mol, XLogP of -1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 54946253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).