(2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid

C₂₉H₃₆N₂O₄ — CID 140994321

About (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 140994321) has the molecular formula C₂₉H₃₆N₂O₄ and a molecular weight of 476.62 g/mol. Its IUPAC name is (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 140994321
• Molecular Formula: C₂₉H₃₆N₂O₄
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.27
• IUPAC Name: (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid
• SMILES: O=C(O)[C@H]1CCCN1C(=O)C(CC[C@H](Cc1ccccc1)C(=O)N1CCCC1)Cc1ccccc1
• InChI: InChI=1S/C29H36N2O4/c32-27(30-17-7-8-18-30)24(20-22-10-3-1-4-11-22)15-16-25(21-23-12-5-2-6-13-23)28(33)31-19-9-14-26(31)29(34)35/h1-6,10-13,24-26H,7-9,14-21H2,(H,34,35)/t24-,25?,26-/m1/s1
• InChIKey: RQYCUPHALANAQM-NCKFGJJNSA-N
• XLogP: 4.18
• TPSA: 77.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid (CID 140994321) is (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)C(CC[C@H](Cc1ccccc1)C(=O)N1CCCC1)Cc1ccccc1.

What is the InChIKey of (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid?

The InChIKey is RQYCUPHALANAQM-NCKFGJJNSA-N. The full InChI is InChI=1S/C29H36N2O4/c32-27(30-17-7-8-18-30)24(20-22-10-3-1-4-11-22)15-16-25(21-23-12-5-2-6-13-23)28(33)31-19-9-14-26(31)29(34)35/h1-6,10-13,24-26H,7-9,14-21H2,(H,34,35)/t24-,25?,26-/m1/s1.

What are the key properties of (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid?

(2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 476.62 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 140994321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140994321 — identifiers, structure, computed properties (public domain)

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