2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione

C8H11NO9 — CID 174888237

IUPAC2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)C(O)C(O)C(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C4H6O6/c6-3-1-2-4(7)5(3)8;5-1(3(7)8)2(6)4(9)10/h8H,1-2H2;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyXZABBRVNIUBANI-UHFFFAOYSA-N
MW265.17 g/mol
LogP-2.60
Rot. Bonds3

About 2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione

2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione (PubChem CID 174888237) has the molecular formula C8H11NO9 and a molecular weight of 265.17 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione
PubChem CID174888237
Molecular FormulaC8H11NO9
Molecular Weight265.17 g/mol
Exact Mass265.04
IUPAC Name2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)C(O)C(O)C(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C4H6O6/c6-3-1-2-4(7)5(3)8;5-1(3(7)8)2(6)4(9)10/h8H,1-2H2;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyXZABBRVNIUBANI-UHFFFAOYSA-N
XLogP-2.60
TPSA172.67 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 5-2.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

azane;1-hydroxypyrrolidine-2,5-dione
CID 11073454
tetrakis(1-hydroxypyrrolidine-2,5-dione);λ2-stannane
CID 173205649
ethene;1-hydroxypyrrolidine-2,5-dione
CID 142301114
2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid
CID 15236441
2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid
CID 14112493
1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid
CID 175009654
carbonic acid;1-hydroxypyrrolidine-2,5-dione;pyridine
CID 161237221
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
CID 175721627
CID 175721627
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione (CID 174888237) is 2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione is O=C(O)C(O)C(O)C(=O)O.O=C1CCC(=O)N1O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is XZABBRVNIUBANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C4H6O6/c6-3-1-2-4(7)5(3)8;5-1(3(7)8)2(6)4(9)10/h8H,1-2H2;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione?
2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 265.17 g/mol, XLogP of -2.60, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 174888237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).