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

C27H32N4O4 — CID 171088303

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

(1R,2S,5S)-3-(4-cyclopropyl-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 171088303) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is (1R,2S,5S)-3-(4-cyclopropyl-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

• Compound Name: (1R,2S,5S)-3-(4-cyclopropyl-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
• PubChem CID: 171088303
• Molecular Formula: C27H32N4O4
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.24
• IUPAC Name: (1R,2S,5S)-3-(4-cyclopropyl-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
• SMILES: CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4c(C5CC5)cccc4[nH]3)C[C@@H]21
• InChI: InChI=1S/C27H32N4O4/c1-27(2)19-12-31(26(35)21-11-18-17(14-6-7-14)4-3-5-20(18)30-21)23(22(19)27)25(34)29-16(13-32)10-15-8-9-28-24(15)33/h3-5,11,13-16,19,22-23,30H,6-10,12H2,1-2H3,(H,28,33)(H,29,34)/t15-,16-,19-,22-,23-/m0/s1
• InChIKey: CJXXKVHMWABLKA-DIXAESKUSA-N
• XLogP: 2.35
• TPSA: 111.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (1R,2S,5S)-3-(4-cyclopropyl-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 171088303) is (1R,2S,5S)-3-(4-cyclopropyl-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.

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

The canonical SMILES for (1R,2S,5S)-3-(4-cyclopropyl-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is CC1(C)[C@@H]2[C@@H](C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)N(C(=O)c3cc4c(C5CC5)cccc4[nH]3)C[C@@H]21.

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

The InChIKey is CJXXKVHMWABLKA-DIXAESKUSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-27(2)19-12-31(26(35)21-11-18-17(14-6-7-14)4-3-5-20(18)30-21)23(22(19)27)25(34)29-16(13-32)10-15-8-9-28-24(15)33/h3-5,11,13-16,19,22-23,30H,6-10,12H2,1-2H3,(H,28,33)(H,29,34)/t15-,16-,19-,22-,23-/m0/s1.

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

(1R,2S,5S)-3-(4-cyclopropyl-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,5S)-3-(4-cyclopropyl-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 171088303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).