2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid

C8H11N3O4 — CID 43354487

IUPAC2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
SMILESCN1N=C(C(=O)NCC(=O)O)CCC1=O
InChIInChI=1S/C8H11N3O4/c1-11-6(12)3-2-5(10-11)8(15)9-4-7(13)14/h2-4H2,1H3,(H,9,15)(H,13,14)
InChIKeyMYNJQUXLZBTQHB-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.20
Rot. Bonds3

About 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid

2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid (PubChem CID 43354487) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
PubChem CID43354487
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
SMILESCN1N=C(C(=O)NCC(=O)O)CCC1=O
InChIInChI=1S/C8H11N3O4/c1-11-6(12)3-2-5(10-11)8(15)9-4-7(13)14/h2-4H2,1H3,(H,9,15)(H,13,14)
InChIKeyMYNJQUXLZBTQHB-UHFFFAOYSA-N
XLogP-1.20
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid (CID 43354487) is 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid is CN1N=C(C(=O)NCC(=O)O)CCC1=O.
What is the InChIKey of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
The InChIKey is MYNJQUXLZBTQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-11-6(12)3-2-5(10-11)8(15)9-4-7(13)14/h2-4H2,1H3,(H,9,15)(H,13,14).
What are the key properties of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid?
2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 43354487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).