(1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C26H34N4O4 — CID 171088017

About (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

(1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 171088017) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

• Compound Name: (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
• PubChem CID: 171088017
• Molecular Formula: C26H34N4O4
• Molecular Weight: 466.58 g/mol
• Exact Mass: 466.26
• IUPAC Name: (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
• SMILES: CCc1cccc2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](CO)C[C@@H]3CCNC3=O)C4(C)C)cc12
• InChI: InChI=1S/C26H34N4O4/c1-4-14-6-5-7-19-17(14)11-20(29-19)25(34)30-12-18-21(26(18,2)3)22(30)24(33)28-16(13-31)10-15-8-9-27-23(15)32/h5-7,11,15-16,18,21-22,29,31H,4,8-10,12-13H2,1-3H3,(H,27,32)(H,28,33)/t15-,16-,18-,21-,22-/m0/s1
• InChIKey: DFYQUTXOAREXIC-CAUQANCSSA-N
• XLogP: 1.83
• TPSA: 114.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.58
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The IUPAC name of (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 171088017) is (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

What is the SMILES notation for (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The canonical SMILES for (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is CCc1cccc2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@H](CO)C[C@@H]3CCNC3=O)C4(C)C)cc12.

What is the InChIKey of (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The InChIKey is DFYQUTXOAREXIC-CAUQANCSSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-4-14-6-5-7-19-17(14)11-20(29-19)25(34)30-12-18-21(26(18,2)3)22(30)24(33)28-16(13-31)10-15-8-9-27-23(15)32/h5-7,11,15-16,18,21-22,29,31H,4,8-10,12-13H2,1-3H3,(H,27,32)(H,28,33)/t15-,16-,18-,21-,22-/m0/s1.

What are the key properties of (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

(1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 1.83, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,5S)-3-(4-ethyl-1H-indole-2-carbonyl)-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 171088017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).