5-(1-oxophthalazin-2-yl)pentanoic acid

C13H14N2O3 — CID 28971824

IUPAC5-(1-oxophthalazin-2-yl)pentanoic acid
SMILESO=C(O)CCCCn1ncc2ccccc2c1=O
InChIInChI=1S/C13H14N2O3/c16-12(17)7-3-4-8-15-13(18)11-6-2-1-5-10(11)9-14-15/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyFWNPQXSOIBVLNP-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.65
Rot. Bonds5

About 5-(1-oxophthalazin-2-yl)pentanoic acid

5-(1-oxophthalazin-2-yl)pentanoic acid (PubChem CID 28971824) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(1-oxophthalazin-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(1-oxophthalazin-2-yl)pentanoic acid
PubChem CID28971824
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(1-oxophthalazin-2-yl)pentanoic acid
SMILESO=C(O)CCCCn1ncc2ccccc2c1=O
InChIInChI=1S/C13H14N2O3/c16-12(17)7-3-4-8-15-13(18)11-6-2-1-5-10(11)9-14-15/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyFWNPQXSOIBVLNP-UHFFFAOYSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloropentyl)phthalazin-1-one
CID 43348317
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
4-(6-bromo-1-oxophthalazin-2-yl)butanoic acid
CID 14234843
2-[4-oxo-5-(2-oxobutylsulfanyl)pentyl]phthalazin-1-one
CID 167672026
2,2-dimethyl-4-(1-oxophthalazin-2-yl)butanoic acid
CID 65248238
2-phenacylphthalazin-1-one
CID 60774188
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phthalazin-1-one
CID 11245846
2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate
CID 10754920
2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate
CID 159221966
3-indazol-1-ylpropanoic acid
CID 805922
2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one
CID 2299361

Frequently Asked Questions

What is the IUPAC name of 5-(1-oxophthalazin-2-yl)pentanoic acid?
The IUPAC name of 5-(1-oxophthalazin-2-yl)pentanoic acid (CID 28971824) is 5-(1-oxophthalazin-2-yl)pentanoic acid.
What is the SMILES notation for 5-(1-oxophthalazin-2-yl)pentanoic acid?
The canonical SMILES for 5-(1-oxophthalazin-2-yl)pentanoic acid is O=C(O)CCCCn1ncc2ccccc2c1=O.
What is the InChIKey of 5-(1-oxophthalazin-2-yl)pentanoic acid?
The InChIKey is FWNPQXSOIBVLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12(17)7-3-4-8-15-13(18)11-6-2-1-5-10(11)9-14-15/h1-2,5-6,9H,3-4,7-8H2,(H,16,17).
What are the key properties of 5-(1-oxophthalazin-2-yl)pentanoic acid?
5-(1-oxophthalazin-2-yl)pentanoic acid has a molecular weight of 246.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxophthalazin-2-yl)pentanoic acid is sourced from PubChem (CID 28971824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).