2-phthalazin-6-ylpropanoic acid

C11H10N2O2 — CID 117290775

IUPAC2-phthalazin-6-ylpropanoic acid
SMILESCC(C(=O)O)c1ccc2cnncc2c1
InChIInChI=1S/C11H10N2O2/c1-7(11(14)15)8-2-3-9-5-12-13-6-10(9)4-8/h2-7H,1H3,(H,14,15)
InChIKeyUQKQHNXISJFGIJ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.82
Rot. Bonds2

About 2-phthalazin-6-ylpropanoic acid

2-phthalazin-6-ylpropanoic acid (PubChem CID 117290775) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-phthalazin-6-ylpropanoic acid.

Molecular Properties

Compound Name2-phthalazin-6-ylpropanoic acid
PubChem CID117290775
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-phthalazin-6-ylpropanoic acid
SMILESCC(C(=O)O)c1ccc2cnncc2c1
InChIInChI=1S/C11H10N2O2/c1-7(11(14)15)8-2-3-9-5-12-13-6-10(9)4-8/h2-7H,1H3,(H,14,15)
InChIKeyUQKQHNXISJFGIJ-UHFFFAOYSA-N
XLogP1.82
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-(6-acetylnaphthalen-2-yl)propanoic acid;azane
CID 173455437
(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid
CID 149459018
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
2-(4-ethylisoquinolin-7-yl)propanoic acid
CID 117330544
2-(1-ethylindazol-5-yl)propanoic acid
CID 84724339
2-(3,4-dihydroxyphenyl)propanoic acid
CID 20848968
(2R)-2-(6-sulfooxynaphthalen-2-yl)propanoic acid
CID 102017270
2-[6-(difluoromethylsulfinyl)naphthalen-2-yl]propanoic acid
CID 154239594

Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-6-ylpropanoic acid?
The IUPAC name of 2-phthalazin-6-ylpropanoic acid (CID 117290775) is 2-phthalazin-6-ylpropanoic acid.
What is the SMILES notation for 2-phthalazin-6-ylpropanoic acid?
The canonical SMILES for 2-phthalazin-6-ylpropanoic acid is CC(C(=O)O)c1ccc2cnncc2c1.
What is the InChIKey of 2-phthalazin-6-ylpropanoic acid?
The InChIKey is UQKQHNXISJFGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7(11(14)15)8-2-3-9-5-12-13-6-10(9)4-8/h2-7H,1H3,(H,14,15).
What are the key properties of 2-phthalazin-6-ylpropanoic acid?
2-phthalazin-6-ylpropanoic acid has a molecular weight of 202.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phthalazin-6-ylpropanoic acid is sourced from PubChem (CID 117290775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).