N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide

C31H47N5O6 — CID 167254916

About N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide

N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 167254916) has the molecular formula C31H47N5O6 and a molecular weight of 585.75 g/mol. Its IUPAC name is N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide
• PubChem CID: 167254916
• Molecular Formula: C31H47N5O6
• Molecular Weight: 585.75 g/mol
• Exact Mass: 585.35
• IUPAC Name: N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)N[C@@H](C(=O)N[C@@H](CC12CC(C1)C2)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1)C1CCCC1
• InChI: InChI=1S/C31H47N5O6/c1-30(2,3)29(42)36-23(18-6-4-5-7-18)27(40)35-22(16-31-13-17(14-31)15-31)26(39)34-21(12-19-10-11-32-25(19)38)24(37)28(41)33-20-8-9-20/h17-23H,4-16H2,1-3H3,(H,32,38)(H,33,41)(H,34,39)(H,35,40)(H,36,42)/t17?,19-,21-,22-,23+,31?/m0/s1
• InChIKey: GUZYWMZQEIUNCL-JTGYXOPNSA-N
• XLogP: 1.24
• TPSA: 162.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.75
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	5
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 N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide (CID 167254916) is N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@@H](C(=O)N[C@@H](CC12CC(C1)C2)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1)C1CCCC1.

What is the InChIKey of N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide?

The InChIKey is GUZYWMZQEIUNCL-JTGYXOPNSA-N. The full InChI is InChI=1S/C31H47N5O6/c1-30(2,3)29(42)36-23(18-6-4-5-7-18)27(40)35-22(16-31-13-17(14-31)15-31)26(39)34-21(12-19-10-11-32-25(19)38)24(37)28(41)33-20-8-9-20/h17-23H,4-16H2,1-3H3,(H,32,38)(H,33,41)(H,34,39)(H,35,40)(H,36,42)/t17?,19-,21-,22-,23+,31?/m0/s1.

What are the key properties of N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide?

N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 585.75 g/mol, XLogP of 1.24, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-[[(2S)-3-(1-bicyclo[1.1.1]pentanyl)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 167254916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).