methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate

C12H17N3O5 — CID 103879096

IUPACmethyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
SMILESCCCn1nc(C(=O)NCC(O)C(=O)OC)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-3-6-15-10(17)5-4-8(14-15)11(18)13-7-9(16)12(19)20-2/h4-5,9,16H,3,6-7H2,1-2H3,(H,13,18)
InChIKeyPVMFODWXXLKFMS-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.08
Rot. Bonds6

About methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate

methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate (PubChem CID 103879096) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
PubChem CID103879096
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
SMILESCCCn1nc(C(=O)NCC(O)C(=O)OC)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-3-6-15-10(17)5-4-8(14-15)11(18)13-7-9(16)12(19)20-2/h4-5,9,16H,3,6-7H2,1-2H3,(H,13,18)
InChIKeyPVMFODWXXLKFMS-UHFFFAOYSA-N
XLogP-1.08
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103771085
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055
N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 111426020
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55654282
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate (CID 103879096) is methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate is CCCn1nc(C(=O)NCC(O)C(=O)OC)ccc1=O.
What is the InChIKey of methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate?
The InChIKey is PVMFODWXXLKFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-6-15-10(17)5-4-8(14-15)11(18)13-7-9(16)12(19)20-2/h4-5,9,16H,3,6-7H2,1-2H3,(H,13,18).
What are the key properties of methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate?
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate has a molecular weight of 283.28 g/mol, XLogP of -1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 103879096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).