2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid

C17H20N2O3 — CID 162363887

IUPAC2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid
SMILESCC(C)c1nn(CC(=O)O)c(=O)c2ccc(C3CCC3)cc12
InChIInChI=1S/C17H20N2O3/c1-10(2)16-14-8-12(11-4-3-5-11)6-7-13(14)17(22)19(18-16)9-15(20)21/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,21)
InChIKeyGMVAYPGMHBJWCO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.87
Rot. Bonds4

About 2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid

2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid (PubChem CID 162363887) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid
PubChem CID162363887
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid
SMILESCC(C)c1nn(CC(=O)O)c(=O)c2ccc(C3CCC3)cc12
InChIInChI=1S/C17H20N2O3/c1-10(2)16-14-8-12(11-4-3-5-11)6-7-13(14)17(22)19(18-16)9-15(20)21/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,21)
InChIKeyGMVAYPGMHBJWCO-UHFFFAOYSA-N
XLogP2.87
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 162364321
ethyl 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetate
CID 162363975
2-[6-(2-fluoropropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]acetic acid
CID 162364096
N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 170370128
2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]acetic acid
CID 162732121
2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid
CID 58499284
2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid
CID 163218907
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-[(2S)-4-cyclobutyl-1-methylpiperazin-2-yl]acetamide
CID 170370156
N-(4-hydroxycyclohexyl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363900
N-[(3S)-1-ethyl-2-oxopiperidin-3-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 166874718
6-bromo-2-[2-oxo-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propyl]-4-propan-2-ylphthalazin-1-one
CID 170368535
N-(1-ethylpiperidin-3-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363968

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid?
The IUPAC name of 2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid (CID 162363887) is 2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid?
The canonical SMILES for 2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid is CC(C)c1nn(CC(=O)O)c(=O)c2ccc(C3CCC3)cc12.
What is the InChIKey of 2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid?
The InChIKey is GMVAYPGMHBJWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10(2)16-14-8-12(11-4-3-5-11)6-7-13(14)17(22)19(18-16)9-15(20)21/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid?
2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid has a molecular weight of 300.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid is sourced from PubChem (CID 162363887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).