benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

C37H39N3O5 — CID 10746229

About benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate (PubChem CID 10746229) has the molecular formula C37H39N3O5 and a molecular weight of 605.74 g/mol. Its IUPAC name is benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
• PubChem CID: 10746229
• Molecular Formula: C37H39N3O5
• Molecular Weight: 605.74 g/mol
• Exact Mass: 605.29
• IUPAC Name: benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
• SMILES: O=C(N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1)C(c1ccccc1)c1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C37H39N3O5/c41-25-31(24-27-14-5-1-6-15-27)38-35(42)32-22-13-23-40(32)36(43)34(39-37(44)45-26-28-16-7-2-8-17-28)33(29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-12,14-21,31-34,41H,13,22-26H2,(H,38,42)(H,39,44)/t31-,32-,34-/m1/s1
• InChIKey: UWUYLJZOEXJHBA-JBIUIVRGSA-N
• XLogP: 4.82
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.74
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

The IUPAC name of benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate (CID 10746229) is benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate.

What is the SMILES notation for benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

The canonical SMILES for benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate is O=C(N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1)C(c1ccccc1)c1ccccc1)OCc1ccccc1.

What is the InChIKey of benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

The InChIKey is UWUYLJZOEXJHBA-JBIUIVRGSA-N. The full InChI is InChI=1S/C37H39N3O5/c41-25-31(24-27-14-5-1-6-15-27)38-35(42)32-22-13-23-40(32)36(43)34(39-37(44)45-26-28-16-7-2-8-17-28)33(29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-12,14-21,31-34,41H,13,22-26H2,(H,38,42)(H,39,44)/t31-,32-,34-/m1/s1.

What are the key properties of benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate has a molecular weight of 605.74 g/mol, XLogP of 4.82, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2R)-1-[(2R)-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate is sourced from PubChem (CID 10746229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).