2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione

C10H15NO8 — CID 22238779

IUPAC2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione
SMILESCCC(O)C(=O)OCC(=O)O.O=C1CC(O)C(=O)N1
InChIInChI=1S/C6H10O5.C4H5NO3/c1-2-4(7)6(10)11-3-5(8)9;6-2-1-3(7)5-4(2)8/h4,7H,2-3H2,1H3,(H,8,9);2,6H,1H2,(H,5,7,8)
InChIKeyAXLUXCPGCACQLJ-UHFFFAOYSA-N
MW277.23 g/mol
LogP-2.22
Rot. Bonds4

About 2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione

2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione (PubChem CID 22238779) has the molecular formula C10H15NO8 and a molecular weight of 277.23 g/mol. Its IUPAC name is 2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione
PubChem CID22238779
Molecular FormulaC10H15NO8
Molecular Weight277.23 g/mol
Exact Mass277.08
IUPAC Name2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione
SMILESCCC(O)C(=O)OCC(=O)O.O=C1CC(O)C(=O)N1
InChIInChI=1S/C6H10O5.C4H5NO3/c1-2-4(7)6(10)11-3-5(8)9;6-2-1-3(7)5-4(2)8/h4,7H,2-3H2,1H3,(H,8,9);2,6H,1H2,(H,5,7,8)
InChIKeyAXLUXCPGCACQLJ-UHFFFAOYSA-N
XLogP-2.22
TPSA150.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione (CID 22238779) is 2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione is CCC(O)C(=O)OCC(=O)O.O=C1CC(O)C(=O)N1.
What is the InChIKey of 2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione?
The InChIKey is AXLUXCPGCACQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5.C4H5NO3/c1-2-4(7)6(10)11-3-5(8)9;6-2-1-3(7)5-4(2)8/h4,7H,2-3H2,1H3,(H,8,9);2,6H,1H2,(H,5,7,8).
What are the key properties of 2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione?
2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione has a molecular weight of 277.23 g/mol, XLogP of -2.22, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 22238779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).