2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid

C16H18N2O3 — CID 102538227

IUPAC2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid
SMILESCC(C(=O)O)c1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C16H18N2O3/c1-10(16(20)21)14-12-8-4-5-9-13(12)15(19)18(17-14)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyCDZZERRZJKJANN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.70
Rot. Bonds3

About 2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid

2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid (PubChem CID 102538227) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid
PubChem CID102538227
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid
SMILESCC(C(=O)O)c1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C16H18N2O3/c1-10(16(20)21)14-12-8-4-5-9-13(12)15(19)18(17-14)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyCDZZERRZJKJANN-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Benzyl-1-oxophthalazin-2(1H)-yl)acetic acid
CID 646907
2-(4-Methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetic acid
CID 819380
(1-Oxo-4-phenyl-2(1H)-phthalazinyl)acetic acid
CID 819382
3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
CID 2385994
3-Methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid
CID 704992
2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid
CID 706524
Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate
CID 2821704
Ethyl 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetate
CID 655517
2-isobutyl-4-phenylphthalazin-1(2H)-one
CID 722796
3,4-Dihydro-4-oxo-3-(phenylmethyl)-1-phthalazineacetic acid
CID 793417
3-Ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
CID 2388831
Ethyl 2-[4-oxo-3-benzyl-3-hydrophthalazinyl]acetate
CID 872300

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid?
The IUPAC name of 2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid (CID 102538227) is 2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid is CC(C(=O)O)c1nn(C2CCCC2)c(=O)c2ccccc12.
What is the InChIKey of 2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid?
The InChIKey is CDZZERRZJKJANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(16(20)21)14-12-8-4-5-9-13(12)15(19)18(17-14)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H,20,21).
What are the key properties of 2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid?
2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-4-oxophthalazin-1-yl)propanoic acid is sourced from PubChem (CID 102538227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).