5-oxopyrrolidine-2-carboxylic acid;dihydrate

C5H11NO5 — CID 175519070

IUPAC5-oxopyrrolidine-2-carboxylic acid;dihydrate
SMILESO.O.O=C1CCC(C(=O)O)N1
InChIInChI=1S/C5H7NO3.2H2O/c7-4-2-1-3(6-4)5(8)9;;/h3H,1-2H2,(H,6,7)(H,8,9);2*1H2
InChIKeyCHYXEFUOEIKHPU-UHFFFAOYSA-N
MW165.14 g/mol
LogP-2.30
Rot. Bonds1

About 5-oxopyrrolidine-2-carboxylic acid;dihydrate

5-oxopyrrolidine-2-carboxylic acid;dihydrate (PubChem CID 175519070) has the molecular formula C5H11NO5 and a molecular weight of 165.14 g/mol. Its IUPAC name is 5-oxopyrrolidine-2-carboxylic acid;dihydrate.

Molecular Properties

Compound Name5-oxopyrrolidine-2-carboxylic acid;dihydrate
PubChem CID175519070
Molecular FormulaC5H11NO5
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name5-oxopyrrolidine-2-carboxylic acid;dihydrate
SMILESO.O.O=C1CCC(C(=O)O)N1
InChIInChI=1S/C5H7NO3.2H2O/c7-4-2-1-3(6-4)5(8)9;;/h3H,1-2H2,(H,6,7)(H,8,9);2*1H2
InChIKeyCHYXEFUOEIKHPU-UHFFFAOYSA-N
XLogP-2.30
TPSA129.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-2.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxopyrrolidine-2-carboxylic acid;dihydrate?
The IUPAC name of 5-oxopyrrolidine-2-carboxylic acid;dihydrate (CID 175519070) is 5-oxopyrrolidine-2-carboxylic acid;dihydrate.
What is the SMILES notation for 5-oxopyrrolidine-2-carboxylic acid;dihydrate?
The canonical SMILES for 5-oxopyrrolidine-2-carboxylic acid;dihydrate is O.O.O=C1CCC(C(=O)O)N1.
What is the InChIKey of 5-oxopyrrolidine-2-carboxylic acid;dihydrate?
The InChIKey is CHYXEFUOEIKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3.2H2O/c7-4-2-1-3(6-4)5(8)9;;/h3H,1-2H2,(H,6,7)(H,8,9);2*1H2.
What are the key properties of 5-oxopyrrolidine-2-carboxylic acid;dihydrate?
5-oxopyrrolidine-2-carboxylic acid;dihydrate has a molecular weight of 165.14 g/mol, XLogP of -2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopyrrolidine-2-carboxylic acid;dihydrate is sourced from PubChem (CID 175519070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).