benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate

C25H25NO4 — CID 156548647

IUPACbenzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c27-22-16-23(26(17-22)24(28)30-18-19-10-4-1-5-11-19)25(29,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23,27,29H,16-18H2/t22-,23+/m1/s1
InChIKeyHPLZNTNTUZUJIV-PKTZIBPZSA-N
MW403.48 g/mol
LogP3.69
Rot. Bonds5

About benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate

benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate (PubChem CID 156548647) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate
PubChem CID156548647
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Namebenzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c27-22-16-23(26(17-22)24(28)30-18-19-10-4-1-5-11-19)25(29,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23,27,29H,16-18H2/t22-,23+/m1/s1
InChIKeyHPLZNTNTUZUJIV-PKTZIBPZSA-N
XLogP3.69
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate (CID 156548647) is benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is HPLZNTNTUZUJIV-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H25NO4/c27-22-16-23(26(17-22)24(28)30-18-19-10-4-1-5-11-19)25(29,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23,27,29H,16-18H2/t22-,23+/m1/s1.
What are the key properties of benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate?
benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,4R)-4-hydroxy-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 156548647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).