3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide

C26H42N2O4 — CID 161085960

About 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide

3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide (PubChem CID 161085960) has the molecular formula C26H42N2O4 and a molecular weight of 446.63 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide.

Molecular Properties

• Compound Name: 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide
• PubChem CID: 161085960
• Molecular Formula: C26H42N2O4
• Molecular Weight: 446.63 g/mol
• Exact Mass: 446.31
• IUPAC Name: 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide
• SMILES: C[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)C2(C)C)C1CCCCC1
• InChI: InChI=1S/C26H42N2O4/c1-15(17-10-5-4-6-11-17)25(32)28-14-19-21(26(19,2)3)22(28)20(29)13-18(23(30)24(27)31)12-16-8-7-9-16/h15-19,21-23,30H,4-14H2,1-3H3,(H2,27,31)/t15-,18?,19-,21-,22+,23?/m0/s1
• InChIKey: ZADULAHMSMTCSR-BGCVGHATSA-N
• XLogP: 3.30
• TPSA: 100.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.63
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide?

The IUPAC name of 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide (CID 161085960) is 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide.

What is the SMILES notation for 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide?

The canonical SMILES for 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide is C[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)C2(C)C)C1CCCCC1.

What is the InChIKey of 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide?

The InChIKey is ZADULAHMSMTCSR-BGCVGHATSA-N. The full InChI is InChI=1S/C26H42N2O4/c1-15(17-10-5-4-6-11-17)25(32)28-14-19-21(26(19,2)3)22(28)20(29)13-18(23(30)24(27)31)12-16-8-7-9-16/h15-19,21-23,30H,4-14H2,1-3H3,(H2,27,31)/t15-,18?,19-,21-,22+,23?/m0/s1.

What are the key properties of 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide?

3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide has a molecular weight of 446.63 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide is sourced from PubChem (CID 161085960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).