2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid

C7H11NO4 — CID 154814237

IUPAC2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCC(=O)N1
InChIInChI=1S/C7H11NO4/c1-12-4-7(6(10)11)3-2-5(9)8-7/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyDDTUFYWEZOQHHS-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.63
Rot. Bonds3

About 2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid

2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 154814237) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID154814237
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCC(=O)N1
InChIInChI=1S/C7H11NO4/c1-12-4-7(6(10)11)3-2-5(9)8-7/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyDDTUFYWEZOQHHS-UHFFFAOYSA-N
XLogP-0.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid (CID 154814237) is 2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid is COCC1(C(=O)O)CCC(=O)N1.
What is the InChIKey of 2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is DDTUFYWEZOQHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-12-4-7(6(10)11)3-2-5(9)8-7/h2-4H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid?
2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 154814237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).