(2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate

C15H16N2O5 — CID 129168004

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate
SMILESO=C(CCCC(=O)ON1C(=O)CCC1=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O5/c18-12(16-11-5-2-1-3-6-11)7-4-8-15(21)22-17-13(19)9-10-14(17)20/h1-3,5-6H,4,7-10H2,(H,16,18)
InChIKeyCMBLHPPPPUJUPF-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.40
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate (PubChem CID 129168004) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate
PubChem CID129168004
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate
SMILESO=C(CCCC(=O)ON1C(=O)CCC1=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O5/c18-12(16-11-5-2-1-3-6-11)7-4-8-15(21)22-17-13(19)9-10-14(17)20/h1-3,5-6H,4,7-10H2,(H,16,18)
InChIKeyCMBLHPPPPUJUPF-UHFFFAOYSA-N
XLogP1.40
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]phenyl]-1-hydroxyethyl]benzoic acid
CID 14858795
[5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid
CID 11145668
(2,5-dioxopyrrolidin-1-yl) 4-[[16-[(2-methylpropan-2-yl)oxy]-16-oxohexadecanoyl]amino]benzoate;4-[[16-[(2-methylpropan-2-yl)oxy]-16-oxohexadecanoyl]amino]benzoic acid
CID 158084987
(2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate
CID 58482193
(2,5-dioxopyrrolidin-1-yl) 8-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-8-oxooctanoate
CID 89032054
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate
CID 87746773
bis[(8-anilino-8-oxooctanoyl)amino] hexanedioate
CID 66574923
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate (CID 129168004) is (2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate is O=C(CCCC(=O)ON1C(=O)CCC1=O)Nc1ccccc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate?
The InChIKey is CMBLHPPPPUJUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c18-12(16-11-5-2-1-3-6-11)7-4-8-15(21)22-17-13(19)9-10-14(17)20/h1-3,5-6H,4,7-10H2,(H,16,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate?
(2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate has a molecular weight of 304.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate is sourced from PubChem (CID 129168004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).