5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione

C12H19NO7 — CID 175340488

IUPAC5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione
SMILESO=C(O)CCCC(=O)OCCO.O=C1CCCC(=O)N1
InChIInChI=1S/C7H12O5.C5H7NO2/c8-4-5-12-7(11)3-1-2-6(9)10;7-4-2-1-3-5(8)6-4/h8H,1-5H2,(H,9,10);1-3H2,(H,6,7,8)
InChIKeyCSXKXSJKFYEWBJ-UHFFFAOYSA-N
MW289.28 g/mol
LogP-0.41
Rot. Bonds6

About 5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione

5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione (PubChem CID 175340488) has the molecular formula C12H19NO7 and a molecular weight of 289.28 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione
PubChem CID175340488
Molecular FormulaC12H19NO7
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC Name5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione
SMILESO=C(O)CCCC(=O)OCCO.O=C1CCCC(=O)N1
InChIInChI=1S/C7H12O5.C5H7NO2/c8-4-5-12-7(11)3-1-2-6(9)10;7-4-2-1-3-5(8)6-4/h8H,1-5H2,(H,9,10);1-3H2,(H,6,7,8)
InChIKeyCSXKXSJKFYEWBJ-UHFFFAOYSA-N
XLogP-0.41
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

pentanedioic acid;piperidine-2,6-dione
CID 175379041
bis(bis(2-hydroxyethyl) butanedioate);pentanedioic acid
CID 175038974
5-(22-hydroxydocosoxy)-5-oxopentanoic acid
CID 102355782
6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoic acid;ethane-1,2-diol
CID 87078345
5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
4-[6-(2-hydroxyethoxy)-6-oxohexanoyl]oxy-4-oxobutanoic acid
CID 174751438
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
ethene;6-(2-hydroxyethoxy)-6-oxohexanoic acid;prop-1-ene
CID 87901031
5-butoxy-5-oxopentanoic acid;ethane-1,2-diol
CID 174901501
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
8-(7-hydroxyheptoxy)-8-oxooctanoic acid
CID 162853093

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione?
The IUPAC name of 5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione (CID 175340488) is 5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione.
What is the SMILES notation for 5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione?
The canonical SMILES for 5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione is O=C(O)CCCC(=O)OCCO.O=C1CCCC(=O)N1.
What is the InChIKey of 5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione?
The InChIKey is CSXKXSJKFYEWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5.C5H7NO2/c8-4-5-12-7(11)3-1-2-6(9)10;7-4-2-1-3-5(8)6-4/h8H,1-5H2,(H,9,10);1-3H2,(H,6,7,8).
What are the key properties of 5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione?
5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione has a molecular weight of 289.28 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-5-oxopentanoic acid;piperidine-2,6-dione is sourced from PubChem (CID 175340488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).