4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid

C10H11N3O4 — CID 167916248

IUPAC4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid
SMILESCC(=O)CC(NC(=O)c1cccnn1)C(=O)O
InChIInChI=1S/C10H11N3O4/c1-6(14)5-8(10(16)17)12-9(15)7-3-2-4-11-13-7/h2-4,8H,5H2,1H3,(H,12,15)(H,16,17)
InChIKeyUCZZFUFEVQHUGD-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.36
Rot. Bonds5

About 4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid

4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid (PubChem CID 167916248) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid
PubChem CID167916248
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid
SMILESCC(=O)CC(NC(=O)c1cccnn1)C(=O)O
InChIInChI=1S/C10H11N3O4/c1-6(14)5-8(10(16)17)12-9(15)7-3-2-4-11-13-7/h2-4,8H,5H2,1H3,(H,12,15)(H,16,17)
InChIKeyUCZZFUFEVQHUGD-UHFFFAOYSA-N
XLogP-0.36
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-ylpyridazine-3-carboxamide
CID 110848472
acetic acid;pyridazine-3-carboxylic acid
CID 162329499
(2S)-2-[5-(pyridazine-3-carbonylamino)pentylcarbamoylamino]pentanedioic acid
CID 130432437
N-propylpyridazine-3-carboxamide
CID 89418818
N-phenylpyridazine-3-carboxamide
CID 23633015
(2S)-2-(pyridazin-3-ylmethylcarbamoylamino)butanedioic acid
CID 106897236
4-amino-2-[(6-chloropyridine-2-carbonyl)amino]-4-oxobutanoic acid
CID 62238713
(2S)-2-[(6-fluoropyridine-2-carbonyl)amino]butanedioic acid
CID 115496524
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide
CID 146503498
(2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid
CID 155969180
5-methoxy-5-oxo-2-(pyridine-2-carbonylamino)pentanoic acid
CID 82786131
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid?
The IUPAC name of 4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid (CID 167916248) is 4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid?
The canonical SMILES for 4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid is CC(=O)CC(NC(=O)c1cccnn1)C(=O)O.
What is the InChIKey of 4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid?
The InChIKey is UCZZFUFEVQHUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-6(14)5-8(10(16)17)12-9(15)7-3-2-4-11-13-7/h2-4,8H,5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid?
4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid has a molecular weight of 237.22 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-(pyridazine-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 167916248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).