3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid

C13H19N3O5 — CID 61008268

IUPAC3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C13H19N3O5/c1-3-15(7-6-12(18)19)13(20)10-4-5-11(17)16(14-10)8-9-21-2/h4-5H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyFQPPZXOQXCVFFU-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.17
Rot. Bonds8

About 3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid

3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid (PubChem CID 61008268) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
PubChem CID61008268
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C13H19N3O5/c1-3-15(7-6-12(18)19)13(20)10-4-5-11(17)16(14-10)8-9-21-2/h4-5H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyFQPPZXOQXCVFFU-UHFFFAOYSA-N
XLogP-0.17
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 115771207
N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 71873234
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
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
3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid
CID 82442528
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
N,N-bis(furan-2-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46599486
2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 63651920
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
N-(2-hydroxy-2-methylbutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65114524

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid (CID 61008268) is 3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1ccc(=O)n(CCOC)n1.
What is the InChIKey of 3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid?
The InChIKey is FQPPZXOQXCVFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-3-15(7-6-12(18)19)13(20)10-4-5-11(17)16(14-10)8-9-21-2/h4-5H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid?
3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 61008268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).