2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid

C14H19N3O4 — CID 43360499

IUPAC2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCCCn1nc(C(=O)NC(C)(C(=O)O)C2CC2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-3-8-17-11(18)7-6-10(16-17)12(19)15-14(2,13(20)21)9-4-5-9/h6-7,9H,3-5,8H2,1-2H3,(H,15,19)(H,20,21)
InChIKeyACIBMUNYZQIWPN-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.64
Rot. Bonds6

About 2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 43360499) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
PubChem CID43360499
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCCCn1nc(C(=O)NC(C)(C(=O)O)C2CC2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-3-8-17-11(18)7-6-10(16-17)12(19)15-14(2,13(20)21)9-4-5-9/h6-7,9H,3-5,8H2,1-2H3,(H,15,19)(H,20,21)
InChIKeyACIBMUNYZQIWPN-UHFFFAOYSA-N
XLogP0.64
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid (CID 43360499) is 2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid is CCCn1nc(C(=O)NC(C)(C(=O)O)C2CC2)ccc1=O.
What is the InChIKey of 2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is ACIBMUNYZQIWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-8-17-11(18)7-6-10(16-17)12(19)15-14(2,13(20)21)9-4-5-9/h6-7,9H,3-5,8H2,1-2H3,(H,15,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43360499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).