(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid

C25H23NO4 — CID 69364853

IUPAC(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1C[C@@H](C(=O)O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H23NO4/c27-23(28)18-16-22(24(29)30)26(17-18)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18,22H,16-17H2,(H,27,28)(H,29,30)/t18?,22-/m0/s1
InChIKeyZLVBOQCTPDSLFM-YSYXNDDBSA-N
MW401.46 g/mol
LogP3.84
Rot. Bonds6

About (2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid

(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid (PubChem CID 69364853) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is (2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid
PubChem CID69364853
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1C[C@@H](C(=O)O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H23NO4/c27-23(28)18-16-22(24(29)30)26(17-18)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18,22H,16-17H2,(H,27,28)(H,29,30)/t18?,22-/m0/s1
InChIKeyZLVBOQCTPDSLFM-YSYXNDDBSA-N
XLogP3.84
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.84
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,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid
CID 15927496
1-tritylazetidine-3-carboxylic acid
CID 53445406
(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid
CID 69352190
methyl (2S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate
CID 150507441
2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid
CID 142700797
N-ethylethanamine;(2S)-1-tritylpyrrolidine-2-carboxylic acid
CID 131885421
benzyl 1-tritylaziridine-2-carboxylate
CID 13191985
(2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid
CID 140630872
(4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid
CID 146572104
(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508
methyl 1-tritylazetidine-2-carboxylate
CID 22328406
1-phenylpiperidine-2,4-dicarboxylic acid
CID 174902187

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid (CID 69364853) is (2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid is O=C(O)C1C[C@@H](C(=O)O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid?
The InChIKey is ZLVBOQCTPDSLFM-YSYXNDDBSA-N. The full InChI is InChI=1S/C25H23NO4/c27-23(28)18-16-22(24(29)30)26(17-18)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18,22H,16-17H2,(H,27,28)(H,29,30)/t18?,22-/m0/s1.
What are the key properties of (2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid?
(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid has a molecular weight of 401.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 69364853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).