[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

C33H39ClN4O6 — CID 175389055

About [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 175389055) has the molecular formula C33H39ClN4O6 and a molecular weight of 623.15 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• PubChem CID: 175389055
• Molecular Formula: C33H39ClN4O6
• Molecular Weight: 623.15 g/mol
• Exact Mass: 622.26
• IUPAC Name: [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• SMILES: O=C(NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)C(=O)C(=O)NC1CC1)OC1CCCC1Cc1cccc(Cl)c1
• InChI: InChI=1S/C33H39ClN4O6/c34-24-10-4-8-21(17-24)16-22-9-5-11-28(22)44-33(43)38-27(18-20-6-2-1-3-7-20)31(41)37-26(19-23-14-15-35-30(23)40)29(39)32(42)36-25-12-13-25/h1-4,6-8,10,17,22-23,25-28H,5,9,11-16,18-19H2,(H,35,40)(H,36,42)(H,37,41)(H,38,43)
• InChIKey: DBUPOLMVSYNKHG-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 142.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	623.15
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The IUPAC name of [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 175389055) is [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

What is the SMILES notation for [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The canonical SMILES for [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is O=C(NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)C(=O)C(=O)NC1CC1)OC1CCCC1Cc1cccc(Cl)c1.

What is the InChIKey of [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The InChIKey is DBUPOLMVSYNKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39ClN4O6/c34-24-10-4-8-21(17-24)16-22-9-5-11-28(22)44-33(43)38-27(18-20-6-2-1-3-7-20)31(41)37-26(19-23-14-15-35-30(23)40)29(39)32(42)36-25-12-13-25/h1-4,6-8,10,17,22-23,25-28H,5,9,11-16,18-19H2,(H,35,40)(H,36,42)(H,37,41)(H,38,43).

What are the key properties of [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 623.15 g/mol, XLogP of 3.25, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 175389055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).