2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid

C12H17N3O6 — CID 66172187

IUPAC2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCCn1nc(C(=O)NCC(C)(O)C(=O)O)ccc1=O
InChIInChI=1S/C12H17N3O6/c1-12(20,11(18)19)7-13-10(17)8-3-4-9(16)15(14-8)5-6-21-2/h3-4,20H,5-7H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyMJQMIKHVNNVEEQ-UHFFFAOYSA-N
MW299.28 g/mol
LogP-1.54
Rot. Bonds7

About 2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid

2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 66172187) has the molecular formula C12H17N3O6 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
PubChem CID66172187
Molecular FormulaC12H17N3O6
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC Name2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCCn1nc(C(=O)NCC(C)(O)C(=O)O)ccc1=O
InChIInChI=1S/C12H17N3O6/c1-12(20,11(18)19)7-13-10(17)8-3-4-9(16)15(14-8)5-6-21-2/h3-4,20H,5-7H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyMJQMIKHVNNVEEQ-UHFFFAOYSA-N
XLogP-1.54
TPSA130.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65114524
N-(2-ethyl-2-hydroxybutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65112591
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818105
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60569000
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449208
N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103945933
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid (CID 66172187) is 2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid is COCCn1nc(C(=O)NCC(C)(O)C(=O)O)ccc1=O.
What is the InChIKey of 2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is MJQMIKHVNNVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O6/c1-12(20,11(18)19)7-13-10(17)8-3-4-9(16)15(14-8)5-6-21-2/h3-4,20H,5-7H2,1-2H3,(H,13,17)(H,18,19).
What are the key properties of 2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid?
2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 299.28 g/mol, XLogP of -1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 66172187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).