1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

C8H13NO4 — CID 3146690

IUPAC1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C8H13NO4/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeySQFXUCKQOKOBLC-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.43
Rot. Bonds4

About 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 3146690) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID3146690
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C8H13NO4/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeySQFXUCKQOKOBLC-UHFFFAOYSA-N
XLogP-0.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 3146690) is 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid is COCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is SQFXUCKQOKOBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3146690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).