3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid

C8H11N3O4 — CID 43354862

IUPAC3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H11N3O4/c12-6-2-1-5(10-11-6)8(15)9-4-3-7(13)14/h1-4H2,(H,9,15)(H,11,12)(H,13,14)
InChIKeySIWGVUFWZXGYPW-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.16
Rot. Bonds4

About 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid

3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 43354862) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
PubChem CID43354862
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H11N3O4/c12-6-2-1-5(10-11-6)8(15)9-4-3-7(13)14/h1-4H2,(H,9,15)(H,11,12)(H,13,14)
InChIKeySIWGVUFWZXGYPW-UHFFFAOYSA-N
XLogP-1.16
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (CID 43354862) is 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is SIWGVUFWZXGYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-6-2-1-5(10-11-6)8(15)9-4-3-7(13)14/h1-4H2,(H,9,15)(H,11,12)(H,13,14).
What are the key properties of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 213.19 g/mol, XLogP of -1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43354862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).