2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid

C12H15N3O6 — CID 63651920

IUPAC2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
SMILESCCCn1nc(C(=O)N(CC(=O)O)CC(=O)O)ccc1=O
InChIInChI=1S/C12H15N3O6/c1-2-5-15-9(16)4-3-8(13-15)12(21)14(6-10(17)18)7-11(19)20/h3-4H,2,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyAWNZZMUSEQLUFU-UHFFFAOYSA-N
MW297.27 g/mol
LogP-0.74
Rot. Bonds7

About 2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid

2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid (PubChem CID 63651920) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
PubChem CID63651920
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
SMILESCCCn1nc(C(=O)N(CC(=O)O)CC(=O)O)ccc1=O
InChIInChI=1S/C12H15N3O6/c1-2-5-15-9(16)4-3-8(13-15)12(21)14(6-10(17)18)7-11(19)20/h3-4H,2,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyAWNZZMUSEQLUFU-UHFFFAOYSA-N
XLogP-0.74
TPSA129.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 43655583
2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid
CID 54901036
N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide
CID 42162108
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 110886514
2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 62818484
N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 52574614
N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 34907261
3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 61008268
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
CID 63913396
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid (CID 63651920) is 2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid is CCCn1nc(C(=O)N(CC(=O)O)CC(=O)O)ccc1=O.
What is the InChIKey of 2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid?
The InChIKey is AWNZZMUSEQLUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-2-5-15-9(16)4-3-8(13-15)12(21)14(6-10(17)18)7-11(19)20/h3-4H,2,5-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid?
2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid has a molecular weight of 297.27 g/mol, XLogP of -0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 63651920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).