[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate

C11H12N2O6 — CID 118567781

IUPAC[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)ON1C(=O)CC[C@@H]1O
InChIInChI=1S/C11H12N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-2,9,16H,3-6H2/t9-/m0/s1
InChIKeyBKPRTWHGIAEANT-VIFPVBQESA-N
MW268.22 g/mol
LogP-1.30
Rot. Bonds4

About [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate

[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 118567781) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Name[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate
PubChem CID118567781
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)ON1C(=O)CC[C@@H]1O
InChIInChI=1S/C11H12N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-2,9,16H,3-6H2/t9-/m0/s1
InChIKeyBKPRTWHGIAEANT-VIFPVBQESA-N
XLogP-1.30
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dioxopyrrolidin-1-yl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
CID 4620597
N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 23506201
3-(2,5-Dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 66895472
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 69254513
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 87930817
(2,5-Dioxopyrrolidin-1-yl) 3-(1-oxido-2,5-dioxopyrrol-1-ium-1-yl)propanoate
CID 88195469
(2,5-Dioxopyrrol-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 88959503
(2,5-dioxopyrrolidin-1-yl) 3-[(2R)-2-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate
CID 90175815
(2-Hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 91488977
(2-Hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 123142218
(2-Hydroxy-5-oxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 123629672

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate (CID 118567781) is [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate is O=C(CCN1C(=O)C=CC1=O)ON1C(=O)CC[C@@H]1O.
What is the InChIKey of [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is BKPRTWHGIAEANT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-2,9,16H,3-6H2/t9-/m0/s1.
What are the key properties of [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate?
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 268.22 g/mol, XLogP of -1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 118567781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).