1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid

C13H17N3O5 — CID 115449208

IUPAC1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCOCCn1nc(C(=O)NCC2(C(=O)O)CC2)ccc1=O
InChIInChI=1S/C13H17N3O5/c1-21-7-6-16-10(17)3-2-9(15-16)11(18)14-8-13(4-5-13)12(19)20/h2-3H,4-8H2,1H3,(H,14,18)(H,19,20)
InChIKeyFUVBTVUFPMYZEQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.52
Rot. Bonds7

About 1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449208) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449208
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCOCCn1nc(C(=O)NCC2(C(=O)O)CC2)ccc1=O
InChIInChI=1S/C13H17N3O5/c1-21-7-6-16-10(17)3-2-9(15-16)11(18)14-8-13(4-5-13)12(19)20/h2-3H,4-8H2,1H3,(H,14,18)(H,19,20)
InChIKeyFUVBTVUFPMYZEQ-UHFFFAOYSA-N
XLogP-0.52
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic 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

N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 66172187
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-(2-ethyl-2-hydroxybutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65112591
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
N-(2-hydroxy-2-methylbutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65114524
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103799623
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818105

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115449208) is 1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid is COCCn1nc(C(=O)NCC2(C(=O)O)CC2)ccc1=O.
What is the InChIKey of 1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FUVBTVUFPMYZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-21-7-6-16-10(17)3-2-9(15-16)11(18)14-8-13(4-5-13)12(19)20/h2-3H,4-8H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).