(5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

C29H45N5O6 — CID 70309226

About (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

(5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide (PubChem CID 70309226) has the molecular formula C29H45N5O6 and a molecular weight of 559.71 g/mol. Its IUPAC name is (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide.

Molecular Properties

• Compound Name: (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide
• PubChem CID: 70309226
• Molecular Formula: C29H45N5O6
• Molecular Weight: 559.71 g/mol
• Exact Mass: 559.34
• IUPAC Name: (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide
• SMILES: CC1(C)C2(CCC2)[C@@]12C[C@@H](C(=O)NC(CC1CCC1)C(=O)C(N)=O)N(C(=O)CNC(=O)NC1CCC(O)CC1)C2
• InChI: InChI=1S/C29H45N5O6/c1-27(2)28(11-4-12-28)29(27)14-21(25(39)33-20(23(37)24(30)38)13-17-5-3-6-17)34(16-29)22(36)15-31-26(40)32-18-7-9-19(35)10-8-18/h17-21,35H,3-16H2,1-2H3,(H2,30,38)(H,33,39)(H2,31,32,40)/t18?,19?,20?,21-,29+/m0/s1
• InChIKey: LDYZXBZCZWIBHH-BMWZOMFPSA-N
• XLogP: 1.12
• TPSA: 170.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.71
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	5
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 (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

The IUPAC name of (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide (CID 70309226) is (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide.

What is the SMILES notation for (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

The canonical SMILES for (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide is CC1(C)C2(CCC2)[C@@]12C[C@@H](C(=O)NC(CC1CCC1)C(=O)C(N)=O)N(C(=O)CNC(=O)NC1CCC(O)CC1)C2.

What is the InChIKey of (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

The InChIKey is LDYZXBZCZWIBHH-BMWZOMFPSA-N. The full InChI is InChI=1S/C29H45N5O6/c1-27(2)28(11-4-12-28)29(27)14-21(25(39)33-20(23(37)24(30)38)13-17-5-3-6-17)34(16-29)22(36)15-31-26(40)32-18-7-9-19(35)10-8-18/h17-21,35H,3-16H2,1-2H3,(H2,30,38)(H,33,39)(H2,31,32,40)/t18?,19?,20?,21-,29+/m0/s1.

What are the key properties of (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

(5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide has a molecular weight of 559.71 g/mol, XLogP of 1.12, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,8S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-7-[2-[(4-hydroxycyclohexyl)carbamoylamino]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide is sourced from PubChem (CID 70309226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).