(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate

C18H18N2O6 — CID 153387061

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
SMILESO=C(CCCc1cccc(N2C(=O)C=CC2=O)c1)ON1C(=O)CCC1O
InChIInChI=1S/C18H18N2O6/c21-14-7-8-15(22)19(14)13-5-1-3-12(11-13)4-2-6-18(25)26-20-16(23)9-10-17(20)24/h1,3,5,7-8,11,16,23H,2,4,6,9-10H2
InChIKeyFJCNYZORLBPNHN-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.84
Rot. Bonds6

About (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate

(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate (PubChem CID 153387061) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
PubChem CID153387061
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
SMILESO=C(CCCc1cccc(N2C(=O)C=CC2=O)c1)ON1C(=O)CCC1O
InChIInChI=1S/C18H18N2O6/c21-14-7-8-15(22)19(14)13-5-1-3-12(11-13)4-2-6-18(25)26-20-16(23)9-10-17(20)24/h1,3,5,7-8,11,16,23H,2,4,6,9-10H2
InChIKeyFJCNYZORLBPNHN-UHFFFAOYSA-N
XLogP0.84
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
CID 166715042
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
CID 89325456
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[3,5-bis[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]acetate
CID 134502036
1-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrole-2,5-dione
CID 70995531
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoic acid;3-(2,5-dioxopyrrol-1-yl)benzoic acid
CID 175053329
[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-phenylmethyl] 4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
CID 90373390
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate
CID 129151276
(2-hydroxy-5-oxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate
CID 129183103
(2-oxo-5-sulfanylidenepyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
CID 174991174
(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 13421299
(2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
CID 123353535
1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
CID 160652387

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate (CID 153387061) is (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate is O=C(CCCc1cccc(N2C(=O)C=CC2=O)c1)ON1C(=O)CCC1O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate?
The InChIKey is FJCNYZORLBPNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c21-14-7-8-15(22)19(14)13-5-1-3-12(11-13)4-2-6-18(25)26-20-16(23)9-10-17(20)24/h1,3,5,7-8,11,16,23H,2,4,6,9-10H2.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate has a molecular weight of 358.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate is sourced from PubChem (CID 153387061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).