1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid

C15H21NO3 — CID 79382768

IUPAC1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCCC(c1ccccc1O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C15H21NO3/c1-3-13(12-6-4-5-7-14(12)17)16-9-8-11(10(16)2)15(18)19/h4-7,10-11,13,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyZSNOIHOIMQSUPD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid

1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79382768) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79382768
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCCC(c1ccccc1O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C15H21NO3/c1-3-13(12-6-4-5-7-14(12)17)16-9-8-11(10(16)2)15(18)19/h4-7,10-11,13,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyZSNOIHOIMQSUPD-UHFFFAOYSA-N
XLogP2.64
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-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 1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79382768) is 1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid is CCC(c1ccccc1O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ZSNOIHOIMQSUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-13(12-6-4-5-7-14(12)17)16-9-8-11(10(16)2)15(18)19/h4-7,10-11,13,17H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79382768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).