3-methyl-5-oxopyrrolidine-3-carboxylic acid

C6H9NO3 — CID 75355350

IUPAC3-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CNC(=O)C1
InChIInChI=1S/C6H9NO3/c1-6(5(9)10)2-4(8)7-3-6/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyXPAICKDCJOJELF-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.40
Rot. Bonds1

About 3-methyl-5-oxopyrrolidine-3-carboxylic acid

3-methyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 75355350) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-methyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID75355350
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CNC(=O)C1
InChIInChI=1S/C6H9NO3/c1-6(5(9)10)2-4(8)7-3-6/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyXPAICKDCJOJELF-UHFFFAOYSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-5-oxopyrrolidine-3-carboxylic acid (CID 75355350) is 3-methyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-5-oxopyrrolidine-3-carboxylic acid is CC1(C(=O)O)CNC(=O)C1.
What is the InChIKey of 3-methyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is XPAICKDCJOJELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-6(5(9)10)2-4(8)7-3-6/h2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 3-methyl-5-oxopyrrolidine-3-carboxylic acid?
3-methyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 75355350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).