(2S)-1-phenylpyrrolidine-2-carboxylic acid

C11H13NO2 — CID 11106179

IUPAC(2S)-1-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C11H13NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)/t10-/m0/s1
InChIKeyZZMSDLWVAMNVOD-JTQLQIEISA-N
MW191.23 g/mol
LogP1.74
Rot. Bonds2

About (2S)-1-phenylpyrrolidine-2-carboxylic acid

(2S)-1-phenylpyrrolidine-2-carboxylic acid (PubChem CID 11106179) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2S)-1-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-phenylpyrrolidine-2-carboxylic acid
PubChem CID11106179
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2S)-1-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C11H13NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)/t10-/m0/s1
InChIKeyZZMSDLWVAMNVOD-JTQLQIEISA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-phenylpyrrolidine-2-carboxylic acid (CID 11106179) is (2S)-1-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-phenylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1c1ccccc1.
What is the InChIKey of (2S)-1-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is ZZMSDLWVAMNVOD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-1-phenylpyrrolidine-2-carboxylic acid?
(2S)-1-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11106179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).