[(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid

C31H35N7O6S — CID 67515217

About [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid

[(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid (PubChem CID 67515217) has the molecular formula C31H35N7O6S and a molecular weight of 633.73 g/mol. Its IUPAC name is [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid
• PubChem CID: 67515217
• Molecular Formula: C31H35N7O6S
• Molecular Weight: 633.73 g/mol
• Exact Mass: 633.24
• IUPAC Name: [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2cc(C(=O)NNC(=O)[C@@](C)(Cc3ccccc3)NC(=O)O)nc(N3CCCCC3=O)c2)n1
• InChI: InChI=1S/C31H35N7O6S/c1-19-18-45-27(32-19)23-11-8-14-37(23)28(41)21-15-22(33-24(16-21)38-13-7-6-12-25(38)39)26(40)35-36-29(42)31(2,34-30(43)44)17-20-9-4-3-5-10-20/h3-5,9-10,15-16,18,23,34H,6-8,11-14,17H2,1-2H3,(H,35,40)(H,36,42)(H,43,44)/t23-,31-/m1/s1
• InChIKey: SKCRUAMXBHBYBO-SLGOVJDISA-N
• XLogP: 3.37
• TPSA: 173.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.73
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid?

The IUPAC name of [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid (CID 67515217) is [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid.

What is the SMILES notation for [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid?

The canonical SMILES for [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid is Cc1csc([C@H]2CCCN2C(=O)c2cc(C(=O)NNC(=O)[C@@](C)(Cc3ccccc3)NC(=O)O)nc(N3CCCCC3=O)c2)n1.

What is the InChIKey of [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid?

The InChIKey is SKCRUAMXBHBYBO-SLGOVJDISA-N. The full InChI is InChI=1S/C31H35N7O6S/c1-19-18-45-27(32-19)23-11-8-14-37(23)28(41)21-15-22(33-24(16-21)38-13-7-6-12-25(38)39)26(40)35-36-29(42)31(2,34-30(43)44)17-20-9-4-3-5-10-20/h3-5,9-10,15-16,18,23,34H,6-8,11-14,17H2,1-2H3,(H,35,40)(H,36,42)(H,43,44)/t23-,31-/m1/s1.

What are the key properties of [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid?

[(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 633.73 g/mol, XLogP of 3.37, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 67515217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).