(2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid

C11H11NO2 — CID 13387957

IUPAC(2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(c2ccccc2)=CN1
InChIInChI=1S/C11H11NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,7,10,12H,6H2,(H,13,14)/t10-/m0/s1
InChIKeyVTRKOFLUXPLSDZ-JTQLQIEISA-N
MW189.21 g/mol
LogP1.47
Rot. Bonds2

About (2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid

(2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid (PubChem CID 13387957) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
PubChem CID13387957
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(c2ccccc2)=CN1
InChIInChI=1S/C11H11NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,7,10,12H,6H2,(H,13,14)/t10-/m0/s1
InChIKeyVTRKOFLUXPLSDZ-JTQLQIEISA-N
XLogP1.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-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 (2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The IUPAC name of (2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid (CID 13387957) is (2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for (2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for (2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid is O=C(O)[C@@H]1CC(c2ccccc2)=CN1.
What is the InChIKey of (2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The InChIKey is VTRKOFLUXPLSDZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,7,10,12H,6H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
(2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 13387957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).