2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid

C14H19N3O4 — CID 43655583

IUPAC2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
SMILESCCCn1nc(C(=O)N(CC(=O)O)CC2CC2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-2-7-17-12(18)6-5-11(15-17)14(21)16(9-13(19)20)8-10-3-4-10/h5-6,10H,2-4,7-9H2,1H3,(H,19,20)
InChIKeySVFVXNCYCANKQL-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.59
Rot. Bonds7

About 2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid

2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid (PubChem CID 43655583) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
PubChem CID43655583
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
SMILESCCCn1nc(C(=O)N(CC(=O)O)CC2CC2)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-2-7-17-12(18)6-5-11(15-17)14(21)16(9-13(19)20)8-10-3-4-10/h5-6,10H,2-4,7-9H2,1H3,(H,19,20)
InChIKeySVFVXNCYCANKQL-UHFFFAOYSA-N
XLogP0.59
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid (CID 43655583) is 2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid is CCCn1nc(C(=O)N(CC(=O)O)CC2CC2)ccc1=O.
What is the InChIKey of 2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid?
The InChIKey is SVFVXNCYCANKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-7-17-12(18)6-5-11(15-17)14(21)16(9-13(19)20)8-10-3-4-10/h5-6,10H,2-4,7-9H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 43655583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).