(1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C30H47N5O6 — CID 71067221

About (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

(1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 71067221) has the molecular formula C30H47N5O6 and a molecular weight of 573.74 g/mol. Its IUPAC name is (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

• Compound Name: (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
• PubChem CID: 71067221
• Molecular Formula: C30H47N5O6
• Molecular Weight: 573.74 g/mol
• Exact Mass: 573.35
• IUPAC Name: (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
• SMILES: CC(C)[C@@H](CC(=O)C1CC1)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(N)=O)C1CC1)C2(C)C)C(C)(C)C
• InChI: InChI=1S/C30H47N5O6/c1-14(2)18(12-19(36)15-8-9-15)32-28(41)34-24(29(3,4)5)27(40)35-13-17-20(30(17,6)7)22(35)26(39)33-21(16-10-11-16)23(37)25(31)38/h14-18,20-22,24H,8-13H2,1-7H3,(H2,31,38)(H,33,39)(H2,32,34,41)/t17-,18+,20-,21?,22-,24+/m0/s1
• InChIKey: RFJXEEIBNPTTSC-PFPBAMNOSA-N
• XLogP: 1.53
• TPSA: 167.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.74
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	4
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 (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The IUPAC name of (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 71067221) is (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

What is the SMILES notation for (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The canonical SMILES for (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is CC(C)[C@@H](CC(=O)C1CC1)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(N)=O)C1CC1)C2(C)C)C(C)(C)C.

What is the InChIKey of (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The InChIKey is RFJXEEIBNPTTSC-PFPBAMNOSA-N. The full InChI is InChI=1S/C30H47N5O6/c1-14(2)18(12-19(36)15-8-9-15)32-28(41)34-24(29(3,4)5)27(40)35-13-17-20(30(17,6)7)22(35)26(39)33-21(16-10-11-16)23(37)25(31)38/h14-18,20-22,24H,8-13H2,1-7H3,(H2,31,38)(H,33,39)(H2,32,34,41)/t17-,18+,20-,21?,22-,24+/m0/s1.

What are the key properties of (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

(1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 573.74 g/mol, XLogP of 1.53, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,5S)-N-(3-amino-1-cyclopropyl-2,3-dioxopropyl)-3-[(2S)-2-[[(3R)-1-cyclopropyl-4-methyl-1-oxopentan-3-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 71067221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).