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

C31H49N5O6 — CID 167254617

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

N-[(1R)-2-[[(2S)-3-cyclobutyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 167254617) has the molecular formula C31H49N5O6 and a molecular weight of 587.76 g/mol. Its IUPAC name is N-[(1R)-2-[[(2S)-3-cyclobutyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[(1R)-2-[[(2S)-3-cyclobutyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide
• PubChem CID: 167254617
• Molecular Formula: C31H49N5O6
• Molecular Weight: 587.76 g/mol
• Exact Mass: 587.37
• IUPAC Name: N-[(1R)-2-[[(2S)-3-cyclobutyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide
• SMILES: CN(C(=O)[C@H](NC(=O)C(C)(C)C)C1CCCC1)[C@@H](CC1CCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1
• InChI: InChI=1S/C31H49N5O6/c1-31(2,3)30(42)35-24(19-10-5-6-11-19)29(41)36(4)23(16-18-8-7-9-18)27(39)34-22(17-20-14-15-32-26(20)38)25(37)28(40)33-21-12-13-21/h18-24H,5-17H2,1-4H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t20-,22-,23-,24+/m0/s1
• InChIKey: GLAXFERDXDHXKM-TWDDROGUSA-N
• XLogP: 1.58
• TPSA: 153.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.76
LogP ≤ 5	1.58
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 N-[(1R)-2-[[(2S)-3-cyclobutyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[(1R)-2-[[(2S)-3-cyclobutyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide (CID 167254617) is N-[(1R)-2-[[(2S)-3-cyclobutyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide.

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

The canonical SMILES for N-[(1R)-2-[[(2S)-3-cyclobutyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide is CN(C(=O)[C@H](NC(=O)C(C)(C)C)C1CCCC1)[C@@H](CC1CCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1.

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

The InChIKey is GLAXFERDXDHXKM-TWDDROGUSA-N. The full InChI is InChI=1S/C31H49N5O6/c1-31(2,3)30(42)35-24(19-10-5-6-11-19)29(41)36(4)23(16-18-8-7-9-18)27(39)34-22(17-20-14-15-32-26(20)38)25(37)28(40)33-21-12-13-21/h18-24H,5-17H2,1-4H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t20-,22-,23-,24+/m0/s1.

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

N-[(1R)-2-[[(2S)-3-cyclobutyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 587.76 g/mol, XLogP of 1.58, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-[[(2S)-3-cyclobutyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 167254617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).