4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid

C15H15N3O4 — CID 2386911

IUPAC4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid
SMILESO=C(O)c1nn(CC(=O)N2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C15H15N3O4/c19-12(17-7-3-4-8-17)9-18-14(20)11-6-2-1-5-10(11)13(16-18)15(21)22/h1-2,5-6H,3-4,7-9H2,(H,21,22)
InChIKeyAJPPVFVINQRYOT-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.72
Rot. Bonds3

About 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid

4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid (PubChem CID 2386911) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid
PubChem CID2386911
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid
SMILESO=C(O)c1nn(CC(=O)N2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C15H15N3O4/c19-12(17-7-3-4-8-17)9-18-14(20)11-6-2-1-5-10(11)13(16-18)15(21)22/h1-2,5-6H,3-4,7-9H2,(H,21,22)
InChIKeyAJPPVFVINQRYOT-UHFFFAOYSA-N
XLogP0.72
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2363596
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate
CID 2386910
4-oxo-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid
CID 16611070
2-[4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazin-1-yl]acetic acid
CID 102534128
3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2347297
3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate
CID 2376076
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16611205
3-[2-(carbamoylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2629330
3-[2-(methylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2363202
3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid
CID 61342452
1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 46378636
3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9489790

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid?
The IUPAC name of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid (CID 2386911) is 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid.
What is the SMILES notation for 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid?
The canonical SMILES for 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid is O=C(O)c1nn(CC(=O)N2CCCC2)c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid?
The InChIKey is AJPPVFVINQRYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-12(17-7-3-4-8-17)9-18-14(20)11-6-2-1-5-10(11)13(16-18)15(21)22/h1-2,5-6H,3-4,7-9H2,(H,21,22).
What are the key properties of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid?
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid is sourced from PubChem (CID 2386911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).