3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane

C11H23NO2 — CID 142303147

IUPAC3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane
SMILESCCC.CN1CCC[C@H]1CCC(=O)O
InChIInChI=1S/C8H15NO2.C3H8/c1-9-6-2-3-7(9)4-5-8(10)11;1-3-2/h7H,2-6H2,1H3,(H,10,11);3H2,1-2H3/t7-;/m0./s1
InChIKeyPITKTSXRZIYMFI-FJXQXJEOSA-N
MW201.31 g/mol
LogP2.36
Rot. Bonds3

About 3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane

3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane (PubChem CID 142303147) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane.

Molecular Properties

Compound Name3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane
PubChem CID142303147
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane
SMILESCCC.CN1CCC[C@H]1CCC(=O)O
InChIInChI=1S/C8H15NO2.C3H8/c1-9-6-2-3-7(9)4-5-8(10)11;1-3-2/h7H,2-6H2,1H3,(H,10,11);3H2,1-2H3/t7-;/m0./s1
InChIKeyPITKTSXRZIYMFI-FJXQXJEOSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane 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 3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane?
The IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane (CID 142303147) is 3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane.
What is the SMILES notation for 3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane?
The canonical SMILES for 3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane is CCC.CN1CCC[C@H]1CCC(=O)O.
What is the InChIKey of 3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane?
The InChIKey is PITKTSXRZIYMFI-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H15NO2.C3H8/c1-9-6-2-3-7(9)4-5-8(10)11;1-3-2/h7H,2-6H2,1H3,(H,10,11);3H2,1-2H3/t7-;/m0./s1.
What are the key properties of 3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane?
3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane has a molecular weight of 201.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid;propane is sourced from PubChem (CID 142303147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).