5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid

C8H13NO3 — CID 3151004

IUPAC5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C8H13NO3/c1-5(2)9-4-6(8(11)12)3-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyYKWIPHFVESIOGN-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.33
Rot. Bonds2

About 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid

5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 3151004) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID3151004
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C8H13NO3/c1-5(2)9-4-6(8(11)12)3-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyYKWIPHFVESIOGN-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 3151004) is 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)N1CC(C(=O)O)CC1=O.
What is the InChIKey of 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is YKWIPHFVESIOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(2)9-4-6(8(11)12)3-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3151004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).