2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid

C16H19N3O4 — CID 119204717

IUPAC2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C16H19N3O4/c1-2-10-18(11-15(21)22)16(23)13-8-9-14(20)19(17-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,21,22)
InChIKeyILSSLHRFAZYVFD-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.49
Rot. Bonds6

About 2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid

2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid (PubChem CID 119204717) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid
PubChem CID119204717
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C16H19N3O4/c1-2-10-18(11-15(21)22)16(23)13-8-9-14(20)19(17-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,21,22)
InChIKeyILSSLHRFAZYVFD-UHFFFAOYSA-N
XLogP1.49
TPSA90.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid (CID 119204717) is 2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of 2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid?
The InChIKey is ILSSLHRFAZYVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-2-10-18(11-15(21)22)16(23)13-8-9-14(20)19(17-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,21,22).
What are the key properties of 2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid?
2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid has a molecular weight of 317.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 119204717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).