bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate

C14H15N3O9 — CID 147117897

IUPACbis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate
SMILESCC(=O)NC(CC(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H15N3O9/c1-7(18)15-8(14(24)26-17-11(21)4-5-12(17)22)6-13(23)25-16-9(19)2-3-10(16)20/h8H,2-6H2,1H3,(H,15,18)
InChIKeyBNUABSALGRJALS-UHFFFAOYSA-N
MW369.29 g/mol
LogP-1.90
Rot. Bonds6

About bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate

bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate (PubChem CID 147117897) has the molecular formula C14H15N3O9 and a molecular weight of 369.29 g/mol. Its IUPAC name is bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate.

Molecular Properties

Compound Namebis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate
PubChem CID147117897
Molecular FormulaC14H15N3O9
Molecular Weight369.29 g/mol
Exact Mass369.08
IUPAC Namebis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate
SMILESCC(=O)NC(CC(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H15N3O9/c1-7(18)15-8(14(24)26-17-11(21)4-5-12(17)22)6-13(23)25-16-9(19)2-3-10(16)20/h8H,2-6H2,1H3,(H,15,18)
InChIKeyBNUABSALGRJALS-UHFFFAOYSA-N
XLogP-1.90
TPSA156.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-oxo-3-sulfanylpentanoate
CID 87561676
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
CID 58472277
(2,5-dioxopyrrolidin-1-yl) 4,4-dihydroxy-3-(methylamino)butanoate
CID 163583382
4-O-[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxopropan-2-yl] 1-O-(2-methylpropyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 129183169
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate
CID 174768500
(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate
CID 122671324
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate
CID 59709136
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxopropan-2-yl]amino]-6-oxohexanoate
CID 129055813
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 155286862
3-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(methoxymethyl) propanedioate
CID 159591316
(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
CID 11206648

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate?
The IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate (CID 147117897) is bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate.
What is the SMILES notation for bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate?
The canonical SMILES for bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate is CC(=O)NC(CC(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate?
The InChIKey is BNUABSALGRJALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O9/c1-7(18)15-8(14(24)26-17-11(21)4-5-12(17)22)6-13(23)25-16-9(19)2-3-10(16)20/h8H,2-6H2,1H3,(H,15,18).
What are the key properties of bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate?
bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate has a molecular weight of 369.29 g/mol, XLogP of -1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate is sourced from PubChem (CID 147117897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).