(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

C33H36N4O5 — CID 90668112

About (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (PubChem CID 90668112) has the molecular formula C33H36N4O5 and a molecular weight of 568.67 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.

Molecular Properties

• Compound Name: (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
• PubChem CID: 90668112
• Molecular Formula: C33H36N4O5
• Molecular Weight: 568.67 g/mol
• Exact Mass: 568.27
• IUPAC Name: (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
• SMILES: CC(C)C[C@H](C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3cc(OCc4ccccc4)nc4ccccc34)cc2)C1=O
• InChI: InChI=1S/C33H36N4O5/c1-22(2)18-29(31(38)36-40)37-17-16-33(34,32(37)39)25-12-14-26(15-13-25)41-21-24-19-30(35-28-11-7-6-10-27(24)28)42-20-23-8-4-3-5-9-23/h3-15,19,22,29,40H,16-18,20-21,34H2,1-2H3,(H,36,38)/t29-,33-/m1/s1
• InChIKey: BXVOGYDQCKBLIL-CYTLCNBWSA-N
• XLogP: 4.70
• TPSA: 127.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.67
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?

The IUPAC name of (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (CID 90668112) is (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.

What is the SMILES notation for (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?

The canonical SMILES for (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3cc(OCc4ccccc4)nc4ccccc34)cc2)C1=O.

What is the InChIKey of (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?

The InChIKey is BXVOGYDQCKBLIL-CYTLCNBWSA-N. The full InChI is InChI=1S/C33H36N4O5/c1-22(2)18-29(31(38)36-40)37-17-16-33(34,32(37)39)25-12-14-26(15-13-25)41-21-24-19-30(35-28-11-7-6-10-27(24)28)42-20-23-8-4-3-5-9-23/h3-15,19,22,29,40H,16-18,20-21,34H2,1-2H3,(H,36,38)/t29-,33-/m1/s1.

What are the key properties of (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?

(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide has a molecular weight of 568.67 g/mol, XLogP of 4.70, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 90668112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).