3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid

C13H19N3O5 — CID 66002141

IUPAC3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
SMILESCCCn1nc(C(=O)NCC(C)(O)CC(=O)O)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-3-6-16-10(17)5-4-9(15-16)12(20)14-8-13(2,21)7-11(18)19/h4-5,21H,3,6-8H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyDYCNKBWGWGQYEE-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.39
Rot. Bonds7

About 3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid

3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 66002141) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
PubChem CID66002141
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
SMILESCCCn1nc(C(=O)NCC(C)(O)CC(=O)O)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-3-6-16-10(17)5-4-9(15-16)12(20)14-8-13(2,21)7-11(18)19/h4-5,21H,3,6-8H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyDYCNKBWGWGQYEE-UHFFFAOYSA-N
XLogP-0.39
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid (CID 66002141) is 3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid is CCCn1nc(C(=O)NCC(C)(O)CC(=O)O)ccc1=O.
What is the InChIKey of 3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is DYCNKBWGWGQYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-3-6-16-10(17)5-4-9(15-16)12(20)14-8-13(2,21)7-11(18)19/h4-5,21H,3,6-8H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 66002141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).