(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide

C24H30ClN5O4 — CID 11202601

About (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 11202601) has the molecular formula C24H30ClN5O4 and a molecular weight of 487.99 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide
• PubChem CID: 11202601
• Molecular Formula: C24H30ClN5O4
• Molecular Weight: 487.99 g/mol
• Exact Mass: 487.20
• IUPAC Name: (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide
• SMILES: CC(C)NCC(=O)N(C)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C24H30ClN5O4/c1-15(2)26-13-22(32)29(3)19-10-8-17(9-11-19)27-23(33)21-12-20(31)14-30(21)24(34)28-18-6-4-16(25)5-7-18/h4-11,15,20-21,26,31H,12-14H2,1-3H3,(H,27,33)(H,28,34)/t20-,21-/m1/s1
• InChIKey: MEHKTVPSVCLVSX-NHCUHLMSSA-N
• XLogP: 2.91
• TPSA: 114.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.99
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide?

The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide (CID 11202601) is (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide.

What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide?

The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide is CC(C)NCC(=O)N(C)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1.

What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide?

The InChIKey is MEHKTVPSVCLVSX-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H30ClN5O4/c1-15(2)26-13-22(32)29(3)19-10-8-17(9-11-19)27-23(33)21-12-20(31)14-30(21)24(34)28-18-6-4-16(25)5-7-18/h4-11,15,20-21,26,31H,12-14H2,1-3H3,(H,27,33)(H,28,34)/t20-,21-/m1/s1.

What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide?

(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 487.99 g/mol, XLogP of 2.91, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 11202601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).