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

C16H18N2O3 — CID 66891968

IUPAC3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)n1ncc2ccccc2c1=O
InChIInChI=1S/C16H18N2O3/c19-15-13-8-4-3-7-12(13)10-17-18(15)14(16(20)21)9-11-5-1-2-6-11/h3-4,7-8,10-11,14H,1-2,5-6,9H2,(H,20,21)
InChIKeyQFKIRPBHWXTHBE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.60
Rot. Bonds4

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

3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid (PubChem CID 66891968) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid
PubChem CID66891968
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)n1ncc2ccccc2c1=O
InChIInChI=1S/C16H18N2O3/c19-15-13-8-4-3-7-12(13)10-17-18(15)14(16(20)21)9-11-5-1-2-6-11/h3-4,7-8,10-11,14H,1-2,5-6,9H2,(H,20,21)
InChIKeyQFKIRPBHWXTHBE-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid?
The IUPAC name of 3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid (CID 66891968) is 3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid?
The canonical SMILES for 3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid is O=C(O)C(CC1CCCC1)n1ncc2ccccc2c1=O.
What is the InChIKey of 3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid?
The InChIKey is QFKIRPBHWXTHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15-13-8-4-3-7-12(13)10-17-18(15)14(16(20)21)9-11-5-1-2-6-11/h3-4,7-8,10-11,14H,1-2,5-6,9H2,(H,20,21).
What are the key properties of 3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid?
3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid is sourced from PubChem (CID 66891968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).