2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid

C10H11N3O4 — CID 62694960

IUPAC2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11N3O4/c14-7-4-3-6(12-13-7)9(15)11-8(10(16)17)5-1-2-5/h3-5,8H,1-2H2,(H,11,15)(H,13,14)(H,16,17)
InChIKeyZHGDFVGGLYLDFK-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.64
Rot. Bonds4

About 2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid (PubChem CID 62694960) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
PubChem CID62694960
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11N3O4/c14-7-4-3-6(12-13-7)9(15)11-8(10(16)17)5-1-2-5/h3-5,8H,1-2H2,(H,11,15)(H,13,14)(H,16,17)
InChIKeyZHGDFVGGLYLDFK-UHFFFAOYSA-N
XLogP-0.64
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid
CID 62697253
2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 65214444
N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 115735908
N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95628579
2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid
CID 62697237
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-cyclopropyl-2-(pyrazine-2-carbonylamino)acetic acid
CID 62695126
N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 82281497
(2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 107314268
N-cyclopent-3-en-1-yl-6-oxo-1H-pyridazine-3-carboxamide
CID 103762323
N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103942956
2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119213991

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid (CID 62694960) is 2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1ccc(=O)[nH]n1.
What is the InChIKey of 2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid?
The InChIKey is ZHGDFVGGLYLDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-7-4-3-6(12-13-7)9(15)11-8(10(16)17)5-1-2-5/h3-5,8H,1-2H2,(H,11,15)(H,13,14)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid has a molecular weight of 237.21 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 62694960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).