[(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate

C32H46N8O8 — CID 167146731

About [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate

[(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate (PubChem CID 167146731) has the molecular formula C32H46N8O8 and a molecular weight of 670.77 g/mol. Its IUPAC name is [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate.

Molecular Properties

• Compound Name: [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate
• PubChem CID: 167146731
• Molecular Formula: C32H46N8O8
• Molecular Weight: 670.77 g/mol
• Exact Mass: 670.34
• IUPAC Name: [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate
• SMILES: CC(NC(=O)C1CCCCN1C(=O)C1CCCN1C(=O)[C@H](COC=O)NC(=O)CNC(=O)Nc1ccccn1)C(=O)N1C[C@H](C)CC1C
• InChI: InChI=1S/C32H46N8O8/c1-20-15-21(2)40(17-20)29(44)22(3)35-28(43)24-9-5-7-13-38(24)31(46)25-10-8-14-39(25)30(45)23(18-48-19-41)36-27(42)16-34-32(47)37-26-11-4-6-12-33-26/h4,6,11-12,19-25H,5,7-10,13-18H2,1-3H3,(H,35,43)(H,36,42)(H2,33,34,37,47)/t20-,21?,22?,23+,24?,25?/m1/s1
• InChIKey: ZGBWMGPCLVTXPT-FNEJZYEWSA-N
• XLogP: -0.01
• TPSA: 199.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	670.77
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate?

The IUPAC name of [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate (CID 167146731) is [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate.

What is the SMILES notation for [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate?

The canonical SMILES for [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate is CC(NC(=O)C1CCCCN1C(=O)C1CCCN1C(=O)[C@H](COC=O)NC(=O)CNC(=O)Nc1ccccn1)C(=O)N1C[C@H](C)CC1C.

What is the InChIKey of [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate?

The InChIKey is ZGBWMGPCLVTXPT-FNEJZYEWSA-N. The full InChI is InChI=1S/C32H46N8O8/c1-20-15-21(2)40(17-20)29(44)22(3)35-28(43)24-9-5-7-13-38(24)31(46)25-10-8-14-39(25)30(45)23(18-48-19-41)36-27(42)16-34-32(47)37-26-11-4-6-12-33-26/h4,6,11-12,19-25H,5,7-10,13-18H2,1-3H3,(H,35,43)(H,36,42)(H2,33,34,37,47)/t20-,21?,22?,23+,24?,25?/m1/s1.

What are the key properties of [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate?

[(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate has a molecular weight of 670.77 g/mol, XLogP of -0.01, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate is sourced from PubChem (CID 167146731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).