benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate

C25H25NO3 — CID 175039922

IUPACbenzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@@]1(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C25H25NO3/c27-23(21-13-6-2-7-14-21)25(22-15-8-3-9-16-22)17-10-18-26(25)24(28)29-19-20-11-4-1-5-12-20/h1-9,11-16,23,27H,10,17-19H2/t23?,25-/m1/s1
InChIKeyNAZKPZHWGQAYGL-XSWBTSGESA-N
MW387.48 g/mol
LogP5.05
Rot. Bonds5

About benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate

benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate (PubChem CID 175039922) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate
PubChem CID175039922
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Namebenzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@@]1(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C25H25NO3/c27-23(21-13-6-2-7-14-21)25(22-15-8-3-9-16-22)17-10-18-26(25)24(28)29-19-20-11-4-1-5-12-20/h1-9,11-16,23,27H,10,17-19H2/t23?,25-/m1/s1
InChIKeyNAZKPZHWGQAYGL-XSWBTSGESA-N
XLogP5.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate (CID 175039922) is benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC[C@@]1(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate?
The InChIKey is NAZKPZHWGQAYGL-XSWBTSGESA-N. The full InChI is InChI=1S/C25H25NO3/c27-23(21-13-6-2-7-14-21)25(22-15-8-3-9-16-22)17-10-18-26(25)24(28)29-19-20-11-4-1-5-12-20/h1-9,11-16,23,27H,10,17-19H2/t23?,25-/m1/s1.
What are the key properties of benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate?
benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[hydroxy(phenyl)methyl]-2-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 175039922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).