3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione

C10H15NO8 — CID 162174000

IUPAC3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)CCOCCC(=O)O.O=C1CC(O)C(=O)N1
InChIInChI=1S/C6H10O5.C4H5NO3/c7-5(8)1-3-11-4-2-6(9)10;6-2-1-3(7)5-4(2)8/h1-4H2,(H,7,8)(H,9,10);2,6H,1H2,(H,5,7,8)
InChIKeyZODNVVYXOMWEJM-UHFFFAOYSA-N
MW277.23 g/mol
LogP-1.65
Rot. Bonds6

About 3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione

3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione (PubChem CID 162174000) has the molecular formula C10H15NO8 and a molecular weight of 277.23 g/mol. Its IUPAC name is 3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione
PubChem CID162174000
Molecular FormulaC10H15NO8
Molecular Weight277.23 g/mol
Exact Mass277.08
IUPAC Name3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)CCOCCC(=O)O.O=C1CC(O)C(=O)N1
InChIInChI=1S/C6H10O5.C4H5NO3/c7-5(8)1-3-11-4-2-6(9)10;6-2-1-3(7)5-4(2)8/h1-4H2,(H,7,8)(H,9,10);2,6H,1H2,(H,5,7,8)
InChIKeyZODNVVYXOMWEJM-UHFFFAOYSA-N
XLogP-1.65
TPSA150.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione (CID 162174000) is 3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione is O=C(O)CCOCCC(=O)O.O=C1CC(O)C(=O)N1.
What is the InChIKey of 3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione?
The InChIKey is ZODNVVYXOMWEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5.C4H5NO3/c7-5(8)1-3-11-4-2-6(9)10;6-2-1-3(7)5-4(2)8/h1-4H2,(H,7,8)(H,9,10);2,6H,1H2,(H,5,7,8).
What are the key properties of 3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione?
3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione has a molecular weight of 277.23 g/mol, XLogP of -1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 162174000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).