(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid

C24H21NO3 — CID 69352190

IUPAC(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H21NO3/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/h1-15,22H,16-17H2,(H,27,28)/t22-/m0/s1
InChIKeyOMILUMKKJWXKPO-QFIPXVFZSA-N
MW371.44 g/mol
LogP3.71
Rot. Bonds5

About (2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid

(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid (PubChem CID 69352190) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid
PubChem CID69352190
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H21NO3/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/h1-15,22H,16-17H2,(H,27,28)/t22-/m0/s1
InChIKeyOMILUMKKJWXKPO-QFIPXVFZSA-N
XLogP3.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
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
(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid
CID 69364853
(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
N-ethylethanamine;(2S)-1-tritylpyrrolidine-2-carboxylic acid
CID 131885421
1-tritylazetidine-3-carboxylic acid
CID 53445406
(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 34176386
methyl 1-tritylazetidine-2-carboxylate
CID 22328406
2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid
CID 142700797
benzyl 1-tritylaziridine-2-carboxylate
CID 13191985
(2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid
CID 14314235
(3S)-2-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 148549324

Frequently Asked Questions

What is the IUPAC name of (2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid (CID 69352190) is (2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid is O=C1C[C@@H](C(=O)O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid?
The InChIKey is OMILUMKKJWXKPO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21NO3/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/h1-15,22H,16-17H2,(H,27,28)/t22-/m0/s1.
What are the key properties of (2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid?
(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69352190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).