(2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate

C11H16N2O5 — CID 88872212

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate
SMILESCC(CN)C(=O)C(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H16N2O5/c1-6(5-12)10(16)7(2)11(17)18-13-8(14)3-4-9(13)15/h6-7H,3-5,12H2,1-2H3
InChIKeyDBTADSURHRNMKP-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.61
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate (PubChem CID 88872212) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate
PubChem CID88872212
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate
SMILESCC(CN)C(=O)C(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H16N2O5/c1-6(5-12)10(16)7(2)11(17)18-13-8(14)3-4-9(13)15/h6-7H,3-5,12H2,1-2H3
InChIKeyDBTADSURHRNMKP-UHFFFAOYSA-N
XLogP-0.61
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-(aminomethyl)-6-hydroxy-5-methoxy-2-methyl-3-oxohexanoate
CID 89087526
(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
CID 11206648
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
CID 58472277
2-chloro-3-methylbutane;(2,5-dioxopyrrolidin-1-yl) 2-methylpropanoate
CID 158531615
(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate
CID 122671324
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
azanide;(2,5-dioxopyrrolidin-1-yl) 2,4-dimethyl-5-oxopentanoate;yttrium(3+)
CID 20683205
(2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane
CID 143259221
(2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate
CID 134214303
bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate
CID 147117897
(2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate
CID 166769145
(2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropanoylamino)propanoate
CID 58554575

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate (CID 88872212) is (2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate is CC(CN)C(=O)C(C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate?
The InChIKey is DBTADSURHRNMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-6(5-12)10(16)7(2)11(17)18-13-8(14)3-4-9(13)15/h6-7H,3-5,12H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate?
(2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate has a molecular weight of 256.26 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-amino-2,4-dimethyl-3-oxopentanoate is sourced from PubChem (CID 88872212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).