2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid

C10H13N3O4 — CID 60832051

IUPAC2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H13N3O4/c1-6(2)13(5-9(15)16)10(17)7-3-4-8(14)12-11-7/h3-4,6H,5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyUDHSYTLKIYVRJP-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.29
Rot. Bonds4

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

2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 60832051) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID60832051
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H13N3O4/c1-6(2)13(5-9(15)16)10(17)7-3-4-8(14)12-11-7/h3-4,6H,5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyUDHSYTLKIYVRJP-UHFFFAOYSA-N
XLogP-0.29
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid (CID 60832051) is 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is UDHSYTLKIYVRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6(2)13(5-9(15)16)10(17)7-3-4-8(14)12-11-7/h3-4,6H,5H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid?
2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60832051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).