5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid

C10H14N4O5 — CID 43358700

IUPAC5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C10H14N4O5/c11-7(15)3-1-6(10(18)19)12-9(17)5-2-4-8(16)14-13-5/h6H,1-4H2,(H2,11,15)(H,12,17)(H,14,16)(H,18,19)
InChIKeyJZMAVMWISHLXFT-UHFFFAOYSA-N
MW270.24 g/mol
LogP-1.91
Rot. Bonds6

About 5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid

5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43358700) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid
PubChem CID43358700
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C10H14N4O5/c11-7(15)3-1-6(10(18)19)12-9(17)5-2-4-8(16)14-13-5/h6H,1-4H2,(H2,11,15)(H,12,17)(H,14,16)(H,18,19)
InChIKeyJZMAVMWISHLXFT-UHFFFAOYSA-N
XLogP-1.91
TPSA150.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid (CID 43358700) is 5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid is NC(=O)CCC(NC(=O)C1=NNC(=O)CC1)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is JZMAVMWISHLXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c11-7(15)3-1-6(10(18)19)12-9(17)5-2-4-8(16)14-13-5/h6H,1-4H2,(H2,11,15)(H,12,17)(H,14,16)(H,18,19).
What are the key properties of 5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 270.24 g/mol, XLogP of -1.91, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43358700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).