ethoxyethane;2-oxopyrrolidine-1-carboxylic acid

C9H17NO4 — CID 66784725

IUPACethoxyethane;2-oxopyrrolidine-1-carboxylic acid
SMILESCCOCC.O=C(O)N1CCCC1=O
InChIInChI=1S/C5H7NO3.C4H10O/c7-4-2-1-3-6(4)5(8)9;1-3-5-4-2/h1-3H2,(H,8,9);3-4H2,1-2H3
InChIKeyUKNULHKNHGNMSS-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.33
Rot. Bonds2

About ethoxyethane;2-oxopyrrolidine-1-carboxylic acid

ethoxyethane;2-oxopyrrolidine-1-carboxylic acid (PubChem CID 66784725) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethoxyethane;2-oxopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Nameethoxyethane;2-oxopyrrolidine-1-carboxylic acid
PubChem CID66784725
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethoxyethane;2-oxopyrrolidine-1-carboxylic acid
SMILESCCOCC.O=C(O)N1CCCC1=O
InChIInChI=1S/C5H7NO3.C4H10O/c7-4-2-1-3-6(4)5(8)9;1-3-5-4-2/h1-3H2,(H,8,9);3-4H2,1-2H3
InChIKeyUKNULHKNHGNMSS-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-oxopyrrolidine-1-carboxylic acid?
The IUPAC name of ethoxyethane;2-oxopyrrolidine-1-carboxylic acid (CID 66784725) is ethoxyethane;2-oxopyrrolidine-1-carboxylic acid.
What is the SMILES notation for ethoxyethane;2-oxopyrrolidine-1-carboxylic acid?
The canonical SMILES for ethoxyethane;2-oxopyrrolidine-1-carboxylic acid is CCOCC.O=C(O)N1CCCC1=O.
What is the InChIKey of ethoxyethane;2-oxopyrrolidine-1-carboxylic acid?
The InChIKey is UKNULHKNHGNMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3.C4H10O/c7-4-2-1-3-6(4)5(8)9;1-3-5-4-2/h1-3H2,(H,8,9);3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-oxopyrrolidine-1-carboxylic acid?
ethoxyethane;2-oxopyrrolidine-1-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-oxopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66784725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).