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

C11H10N2O7 — CID 167101297

IUPAC(2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate
SMILESO=C(ON1C(=O)C=CC1=O)[C@H](CO)N1C(=O)CCC1=O
InChIInChI=1S/C11H10N2O7/c14-5-6(12-7(15)1-2-8(12)16)11(19)20-13-9(17)3-4-10(13)18/h3-4,6,14H,1-2,5H2/t6-/m0/s1
InChIKeyALMRZIFJHFNGTP-LURJTMIESA-N
MW282.21 g/mol
LogP-2.12
Rot. Bonds4

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

(2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate (PubChem CID 167101297) has the molecular formula C11H10N2O7 and a molecular weight of 282.21 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate
PubChem CID167101297
Molecular FormulaC11H10N2O7
Molecular Weight282.21 g/mol
Exact Mass282.05
IUPAC Name(2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate
SMILESO=C(ON1C(=O)C=CC1=O)[C@H](CO)N1C(=O)CCC1=O
InChIInChI=1S/C11H10N2O7/c14-5-6(12-7(15)1-2-8(12)16)11(19)20-13-9(17)3-4-10(13)18/h3-4,6,14H,1-2,5H2/t6-/m0/s1
InChIKeyALMRZIFJHFNGTP-LURJTMIESA-N
XLogP-2.12
TPSA121.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 5-2.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)butanoate
CID 164785156
methyl (2S)-2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoate
CID 101212710
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-sulfanylbutanoate
CID 130281915
(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoate
CID 174535443
(2,5-dioxopyrrolidin-1-yl) (2R)-2-(2,5-dioxopyrrol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 139426376
(2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate
CID 169440967
(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-4-(2,5-dioxopyrrol-1-yl)-1-oxobutane-2-sulfonic acid
CID 129395620
2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid
CID 146298855
(2,5-dioxopyrrol-1-yl) carbonochloridate
CID 87560005
1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione
CID 130129765
methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate
CID 155803355
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
CID 67414424

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate (CID 167101297) is (2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate is O=C(ON1C(=O)C=CC1=O)[C@H](CO)N1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate?
The InChIKey is ALMRZIFJHFNGTP-LURJTMIESA-N. The full InChI is InChI=1S/C11H10N2O7/c14-5-6(12-7(15)1-2-8(12)16)11(19)20-13-9(17)3-4-10(13)18/h3-4,6,14H,1-2,5H2/t6-/m0/s1.
What are the key properties of (2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate?
(2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate has a molecular weight of 282.21 g/mol, XLogP of -2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoate is sourced from PubChem (CID 167101297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).