tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C33H54N4O6 — CID 59024748

About tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 59024748) has the molecular formula C33H54N4O6 and a molecular weight of 602.82 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 59024748
• Molecular Formula: C33H54N4O6
• Molecular Weight: 602.82 g/mol
• Exact Mass: 602.40
• IUPAC Name: tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• SMILES: CC[C@@H]1[C@@H](C(=O)NC(CC2CCC2)C(=O)C(N)=O)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C[C@@]12C(C)(C)C21CCC1
• InChI: InChI=1S/C33H54N4O6/c1-10-20-22(26(40)35-21(23(38)25(34)39)17-19-13-11-14-19)37(18-33(20)31(8,9)32(33)15-12-16-32)27(41)24(29(2,3)4)36-28(42)43-30(5,6)7/h19-22,24H,10-18H2,1-9H3,(H2,34,39)(H,35,40)(H,36,42)/t20-,21?,22+,24-,33+/m1/s1
• InChIKey: IRQGRAOVNQXXDG-MTYCMAQTSA-N
• XLogP: 4.09
• TPSA: 147.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.82
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	3
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 tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 59024748) is tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CC[C@@H]1[C@@H](C(=O)NC(CC2CCC2)C(=O)C(N)=O)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C[C@@]12C(C)(C)C21CCC1.

What is the InChIKey of tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The InChIKey is IRQGRAOVNQXXDG-MTYCMAQTSA-N. The full InChI is InChI=1S/C33H54N4O6/c1-10-20-22(26(40)35-21(23(38)25(34)39)17-19-13-11-14-19)37(18-33(20)31(8,9)32(33)15-12-16-32)27(41)24(29(2,3)4)36-28(42)43-30(5,6)7/h19-22,24H,10-18H2,1-9H3,(H2,34,39)(H,35,40)(H,36,42)/t20-,21?,22+,24-,33+/m1/s1.

What are the key properties of tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 602.82 g/mol, XLogP of 4.09, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-[(5R,6S,7S)-7-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6-ethyl-10,10-dimethyl-8-azadispiro[3.0.45.14]decan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 59024748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).