cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate

C20H33N3O5 — CID 154584288

About cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate

cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate (PubChem CID 154584288) has the molecular formula C20H33N3O5 and a molecular weight of 395.50 g/mol. Its IUPAC name is cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate.

Molecular Properties

• Compound Name: cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate
• PubChem CID: 154584288
• Molecular Formula: C20H33N3O5
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.24
• IUPAC Name: cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate
• SMILES: CC(C)C[C@@H](NC(=O)OC1CCCCC1)C(=O)N[C@@H](C=O)CC1CCNC1=O
• InChI: InChI=1S/C20H33N3O5/c1-13(2)10-17(23-20(27)28-16-6-4-3-5-7-16)19(26)22-15(12-24)11-14-8-9-21-18(14)25/h12-17H,3-11H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/t14?,15-,17-/m1/s1
• InChIKey: JAZGKZKQQSCVMM-HOSQGPGDSA-N
• XLogP: 1.67
• TPSA: 113.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?

The IUPAC name of cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate (CID 154584288) is cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate.

What is the SMILES notation for cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?

The canonical SMILES for cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate is CC(C)C[C@@H](NC(=O)OC1CCCCC1)C(=O)N[C@@H](C=O)CC1CCNC1=O.

What is the InChIKey of cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?

The InChIKey is JAZGKZKQQSCVMM-HOSQGPGDSA-N. The full InChI is InChI=1S/C20H33N3O5/c1-13(2)10-17(23-20(27)28-16-6-4-3-5-7-16)19(26)22-15(12-24)11-14-8-9-21-18(14)25/h12-17H,3-11H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/t14?,15-,17-/m1/s1.

What are the key properties of cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate?

cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate has a molecular weight of 395.50 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl N-[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 154584288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).