(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate

C9H11NO6 — CID 122671324

IUPAC(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate
SMILESCC(=O)O[C@@H](C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H11NO6/c1-5(15-6(2)11)9(14)16-10-7(12)3-4-8(10)13/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyILAZBHCLAHPRHN-YFKPBYRVSA-N
MW229.19 g/mol
LogP-0.45
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate

(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate (PubChem CID 122671324) has the molecular formula C9H11NO6 and a molecular weight of 229.19 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate
PubChem CID122671324
Molecular FormulaC9H11NO6
Molecular Weight229.19 g/mol
Exact Mass229.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate
SMILESCC(=O)O[C@@H](C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H11NO6/c1-5(15-6(2)11)9(14)16-10-7(12)3-4-8(10)13/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyILAZBHCLAHPRHN-YFKPBYRVSA-N
XLogP-0.45
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-2-acetyloxypropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate (CID 122671324) is (2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate is CC(=O)O[C@@H](C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate?
The InChIKey is ILAZBHCLAHPRHN-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11NO6/c1-5(15-6(2)11)9(14)16-10-7(12)3-4-8(10)13/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate?
(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate has a molecular weight of 229.19 g/mol, XLogP of -0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate is sourced from PubChem (CID 122671324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).