tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate

C23H32N4O6 — CID 154720982

About tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 154720982) has the molecular formula C23H32N4O6 and a molecular weight of 460.53 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate
• PubChem CID: 154720982
• Molecular Formula: C23H32N4O6
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.23
• IUPAC Name: tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate
• SMILES: CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)c1=O
• InChI: InChI=1S/C23H32N4O6/c1-23(2,3)33-22(32)26-17-5-4-10-27(21(17)31)18(11-14-6-7-14)20(30)25-16(13-28)12-15-8-9-24-19(15)29/h4-5,10,13-16,18H,6-9,11-12H2,1-3H3,(H,24,29)(H,25,30)(H,26,32)/t15-,16-,18-/m0/s1
• InChIKey: LJTHHFKEBCZPSX-BQFCYCMXSA-N
• XLogP: 1.75
• TPSA: 135.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate?

The IUPAC name of tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate (CID 154720982) is tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)c1=O.

What is the InChIKey of tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate?

The InChIKey is LJTHHFKEBCZPSX-BQFCYCMXSA-N. The full InChI is InChI=1S/C23H32N4O6/c1-23(2,3)33-22(32)26-17-5-4-10-27(21(17)31)18(11-14-6-7-14)20(30)25-16(13-28)12-15-8-9-24-19(15)29/h4-5,10,13-16,18H,6-9,11-12H2,1-3H3,(H,24,29)(H,25,30)(H,26,32)/t15-,16-,18-/m0/s1.

What are the key properties of tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate?

tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 460.53 g/mol, XLogP of 1.75, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 154720982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).