3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid

C12H17N3O4 — CID 54926653

IUPAC3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H17N3O4/c1-8(2)15(7-6-11(17)18)12(19)9-4-5-10(16)14(3)13-9/h4-5,8H,6-7H2,1-3H3,(H,17,18)
InChIKeyUQTCODJYKIVDPF-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.11
Rot. Bonds5

About 3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid

3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 54926653) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid
PubChem CID54926653
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H17N3O4/c1-8(2)15(7-6-11(17)18)12(19)9-4-5-10(16)14(3)13-9/h4-5,8H,6-7H2,1-3H3,(H,17,18)
InChIKeyUQTCODJYKIVDPF-UHFFFAOYSA-N
XLogP0.11
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid (CID 54926653) is 3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
The InChIKey is UQTCODJYKIVDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(2)15(7-6-11(17)18)12(19)9-4-5-10(16)14(3)13-9/h4-5,8H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-6-oxopyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 54926653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).