methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate

C25H25NO3 — CID 15927477

IUPACmethyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-29-24(28)23-17-22(27)18-26(23)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-23,27H,17-18H2,1H3/t22-,23+/m1/s1
InChIKeyHZCWALJOVVPETG-PKTZIBPZSA-N
MW387.48 g/mol
LogP3.59
Rot. Bonds5

About methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate

methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate (PubChem CID 15927477) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate
PubChem CID15927477
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Namemethyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-29-24(28)23-17-22(27)18-26(23)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-23,27H,17-18H2,1H3/t22-,23+/m1/s1
InChIKeyHZCWALJOVVPETG-PKTZIBPZSA-N
XLogP3.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate (CID 15927477) is methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate?
The InChIKey is HZCWALJOVVPETG-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H25NO3/c1-29-24(28)23-17-22(27)18-26(23)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-23,27H,17-18H2,1H3/t22-,23+/m1/s1.
What are the key properties of methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate?
methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate is sourced from PubChem (CID 15927477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).