(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid

C24H23NO3 — CID 15927496

IUPAC(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c26-21-16-22(23(27)28)25(17-21)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,26H,16-17H2,(H,27,28)/t21-,22-/m0/s1
InChIKeyOFLPLXXUYDYSJP-VXKWHMMOSA-N
MW373.45 g/mol
LogP3.50
Rot. Bonds5

About (2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid (PubChem CID 15927496) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid
PubChem CID15927496
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c26-21-16-22(23(27)28)25(17-21)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,26H,16-17H2,(H,27,28)/t21-,22-/m0/s1
InChIKeyOFLPLXXUYDYSJP-VXKWHMMOSA-N
XLogP3.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid
CID 69364853
methyl (2S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate
CID 150507441
4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43183753
(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid
CID 69352190
(2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62489291
2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid
CID 142700797
(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid
CID 141124227
N-ethylethanamine;(2S)-1-tritylpyrrolidine-2-carboxylic acid
CID 131885421
1-tritylazetidine-3-carboxylic acid
CID 53445406
benzyl 1-tritylaziridine-2-carboxylate
CID 13191985
(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid (CID 15927496) is (2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid?
The InChIKey is OFLPLXXUYDYSJP-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H23NO3/c26-21-16-22(23(27)28)25(17-21)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,26H,16-17H2,(H,27,28)/t21-,22-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid has a molecular weight of 373.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15927496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).