(2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate

C11H11N3O6 — CID 142465020

IUPAC(2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate
SMILESNC[C@@H](C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C11H11N3O6/c12-5-6(13-7(15)1-2-8(13)16)11(19)20-14-9(17)3-4-10(14)18/h1-2,6H,3-5,12H2/t6-/m0/s1
InChIKeyNIBCZUMMIAZOBP-LURJTMIESA-N
MW281.22 g/mol
LogP-2.15
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate

(2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 142465020) has the molecular formula C11H11N3O6 and a molecular weight of 281.22 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate
PubChem CID142465020
Molecular FormulaC11H11N3O6
Molecular Weight281.22 g/mol
Exact Mass281.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate
SMILESNC[C@@H](C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C11H11N3O6/c12-5-6(13-7(15)1-2-8(13)16)11(19)20-14-9(17)3-4-10(14)18/h1-2,6H,3-5,12H2/t6-/m0/s1
InChIKeyNIBCZUMMIAZOBP-LURJTMIESA-N
XLogP-2.15
TPSA127.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate (CID 142465020) is (2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate is NC[C@@H](C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is NIBCZUMMIAZOBP-LURJTMIESA-N. The full InChI is InChI=1S/C11H11N3O6/c12-5-6(13-7(15)1-2-8(13)16)11(19)20-14-9(17)3-4-10(14)18/h1-2,6H,3-5,12H2/t6-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate?
(2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 281.22 g/mol, XLogP of -2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 142465020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).