carbonic acid;3-hydroxypyrrolidine-2,5-dione

C5H7NO6 — CID 66582275

IUPACcarbonic acid;3-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)O.O=C1CC(O)C(=O)N1
InChIInChI=1S/C4H5NO3.CH2O3/c6-2-1-3(7)5-4(2)8;2-1(3)4/h2,6H,1H2,(H,5,7,8);(H2,2,3,4)
InChIKeyXLAPCANBEIOLGQ-UHFFFAOYSA-N
MW177.11 g/mol
LogP-1.38
Rot. Bonds

About carbonic acid;3-hydroxypyrrolidine-2,5-dione

carbonic acid;3-hydroxypyrrolidine-2,5-dione (PubChem CID 66582275) has the molecular formula C5H7NO6 and a molecular weight of 177.11 g/mol. Its IUPAC name is carbonic acid;3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Namecarbonic acid;3-hydroxypyrrolidine-2,5-dione
PubChem CID66582275
Molecular FormulaC5H7NO6
Molecular Weight177.11 g/mol
Exact Mass177.03
IUPAC Namecarbonic acid;3-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)O.O=C1CC(O)C(=O)N1
InChIInChI=1S/C4H5NO3.CH2O3/c6-2-1-3(7)5-4(2)8;2-1(3)4/h2,6H,1H2,(H,5,7,8);(H2,2,3,4)
InChIKeyXLAPCANBEIOLGQ-UHFFFAOYSA-N
XLogP-1.38
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.11
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of carbonic acid;3-hydroxypyrrolidine-2,5-dione (CID 66582275) is carbonic acid;3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for carbonic acid;3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for carbonic acid;3-hydroxypyrrolidine-2,5-dione is O=C(O)O.O=C1CC(O)C(=O)N1.
What is the InChIKey of carbonic acid;3-hydroxypyrrolidine-2,5-dione?
The InChIKey is XLAPCANBEIOLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.CH2O3/c6-2-1-3(7)5-4(2)8;2-1(3)4/h2,6H,1H2,(H,5,7,8);(H2,2,3,4).
What are the key properties of carbonic acid;3-hydroxypyrrolidine-2,5-dione?
carbonic acid;3-hydroxypyrrolidine-2,5-dione has a molecular weight of 177.11 g/mol, XLogP of -1.38, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 66582275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).