bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate

C14H16N2O8 — CID 58472277

IUPACbis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
SMILESC[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H16N2O8/c1-8(14(22)24-16-11(19)5-6-12(16)20)2-7-13(21)23-15-9(17)3-4-10(15)18/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyWWZXELADYMELIE-QMMMGPOBSA-N
MW340.29 g/mol
LogP-0.38
Rot. Bonds6

About bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate

bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate (PubChem CID 58472277) has the molecular formula C14H16N2O8 and a molecular weight of 340.29 g/mol. Its IUPAC name is bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate.

Molecular Properties

Compound Namebis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
PubChem CID58472277
Molecular FormulaC14H16N2O8
Molecular Weight340.29 g/mol
Exact Mass340.09
IUPAC Namebis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
SMILESC[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H16N2O8/c1-8(14(22)24-16-11(19)5-6-12(16)20)2-7-13(21)23-15-9(17)3-4-10(15)18/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyWWZXELADYMELIE-QMMMGPOBSA-N
XLogP-0.38
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-methylpentanedioate
CID 166007558
(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
CID 11206648
[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-1-(trimethylazaniumyl)butyl]-trimethylazanium diiodide
CID 155291293
(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
CID 121263313
9-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-methylidene-5-oxopyrrolidin-1-yl) (2R)-2-methyl-4-oxononanedioate
CID 147591810
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate
CID 174768500
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxopropan-2-yl]amino]-6-oxohexanoate
CID 129055813
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-(2,3-dimethylbutanoylamino)pentanedioate
CID 166869188
bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate
CID 147117897
(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoate
CID 174535443
(2,5-dioxopyrrolidin-1-yl) 4-oxo-3-sulfanylpentanoate
CID 87561676

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate?
The IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate (CID 58472277) is bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate.
What is the SMILES notation for bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate?
The canonical SMILES for bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate is C[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate?
The InChIKey is WWZXELADYMELIE-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16N2O8/c1-8(14(22)24-16-11(19)5-6-12(16)20)2-7-13(21)23-15-9(17)3-4-10(15)18/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate?
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate has a molecular weight of 340.29 g/mol, XLogP of -0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate is sourced from PubChem (CID 58472277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).