tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate

C30H43N5O7 — CID 162533747

About tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 162533747) has the molecular formula C30H43N5O7 and a molecular weight of 585.70 g/mol. Its IUPAC name is tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate
• PubChem CID: 162533747
• Molecular Formula: C30H43N5O7
• Molecular Weight: 585.70 g/mol
• Exact Mass: 585.32
• IUPAC Name: tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate
• SMILES: CC(C)(C)OC(=O)Nc1cccn(C(CC2CCCCC2)C(=O)NC(CC2CCNC2=O)C(=O)C(=O)NC2CC2)c1=O
• InChI: InChI=1S/C30H43N5O7/c1-30(2,3)42-29(41)34-21-10-7-15-35(28(21)40)23(16-18-8-5-4-6-9-18)26(38)33-22(17-19-13-14-31-25(19)37)24(36)27(39)32-20-11-12-20/h7,10,15,18-20,22-23H,4-6,8-9,11-14,16-17H2,1-3H3,(H,31,37)(H,32,39)(H,33,38)(H,34,41)
• InChIKey: JYNPCEUBSGNIIR-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 164.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.70
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate?

The IUPAC name of tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate (CID 162533747) is tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn(C(CC2CCCCC2)C(=O)NC(CC2CCNC2=O)C(=O)C(=O)NC2CC2)c1=O.

What is the InChIKey of tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate?

The InChIKey is JYNPCEUBSGNIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O7/c1-30(2,3)42-29(41)34-21-10-7-15-35(28(21)40)23(16-18-8-5-4-6-9-18)26(38)33-22(17-19-13-14-31-25(19)37)24(36)27(39)32-20-11-12-20/h7,10,15,18-20,22-23H,4-6,8-9,11-14,16-17H2,1-3H3,(H,31,37)(H,32,39)(H,33,38)(H,34,41).

What are the key properties of tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate?

tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 585.70 g/mol, XLogP of 2.57, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[3-cyclohexyl-1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 162533747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).