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

C24H23NO2 — CID 7317450

IUPAC(2S)-1-tritylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c26-23(27)22-17-10-18-25(22)24(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2,(H,26,27)/t22-/m0/s1
InChIKeyBDFHBICZVAVNCD-QFIPXVFZSA-N
MW357.45 g/mol
LogP4.53
Rot. Bonds5

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

(2S)-1-tritylpyrrolidine-2-carboxylic acid (PubChem CID 7317450) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2S)-1-tritylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-tritylpyrrolidine-2-carboxylic acid
PubChem CID7317450
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(2S)-1-tritylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c26-23(27)22-17-10-18-25(22)24(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2,(H,26,27)/t22-/m0/s1
InChIKeyBDFHBICZVAVNCD-QFIPXVFZSA-N
XLogP4.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-tritylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-tritylpyrrolidine-2-carboxylic acid (CID 7317450) is (2S)-1-tritylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-tritylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-tritylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-tritylpyrrolidine-2-carboxylic acid?
The InChIKey is BDFHBICZVAVNCD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23NO2/c26-23(27)22-17-10-18-25(22)24(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2,(H,26,27)/t22-/m0/s1.
What are the key properties of (2S)-1-tritylpyrrolidine-2-carboxylic acid?
(2S)-1-tritylpyrrolidine-2-carboxylic acid has a molecular weight of 357.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tritylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 7317450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).