[(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate

C26H36N2O5 — CID 6607609

About [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate

[(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate (PubChem CID 6607609) has the molecular formula C26H36N2O5 and a molecular weight of 456.58 g/mol. Its IUPAC name is [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate.

Molecular Properties

• Compound Name: [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate
• PubChem CID: 6607609
• Molecular Formula: C26H36N2O5
• Molecular Weight: 456.58 g/mol
• Exact Mass: 456.26
• IUPAC Name: [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate
• SMILES: C=CCCC(=O)O[C@@H](CNC(=O)[C@H](CC=C)CC(=O)NC1(CO)CCCC1)c1ccccc1
• InChI: InChI=1S/C26H36N2O5/c1-3-5-14-24(31)33-22(20-12-7-6-8-13-20)18-27-25(32)21(11-4-2)17-23(30)28-26(19-29)15-9-10-16-26/h3-4,6-8,12-13,21-22,29H,1-2,5,9-11,14-19H2,(H,27,32)(H,28,30)/t21-,22+/m1/s1
• InChIKey: REGLZLIHPPLMON-YADHBBJMSA-N
• XLogP: 3.36
• TPSA: 104.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.58
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate?

The IUPAC name of [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate (CID 6607609) is [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate.

What is the SMILES notation for [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate?

The canonical SMILES for [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate is C=CCCC(=O)O[C@@H](CNC(=O)[C@H](CC=C)CC(=O)NC1(CO)CCCC1)c1ccccc1.

What is the InChIKey of [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate?

The InChIKey is REGLZLIHPPLMON-YADHBBJMSA-N. The full InChI is InChI=1S/C26H36N2O5/c1-3-5-14-24(31)33-22(20-12-7-6-8-13-20)18-27-25(32)21(11-4-2)17-23(30)28-26(19-29)15-9-10-16-26/h3-4,6-8,12-13,21-22,29H,1-2,5,9-11,14-19H2,(H,27,32)(H,28,30)/t21-,22+/m1/s1.

What are the key properties of [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate?

[(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate has a molecular weight of 456.58 g/mol, XLogP of 3.36, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] pent-4-enoate is sourced from PubChem (CID 6607609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).