(1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide

C38H66N6O6 — CID 143355005

About (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide

(1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide (PubChem CID 143355005) has the molecular formula C38H66N6O6 and a molecular weight of 702.98 g/mol. Its IUPAC name is (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide.

Molecular Properties

• Compound Name: (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide
• PubChem CID: 143355005
• Molecular Formula: C38H66N6O6
• Molecular Weight: 702.98 g/mol
• Exact Mass: 702.50
• IUPAC Name: (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide
• SMILES: C=CCNC(=O)C(C)=O.CC1CCC1.CNC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCCC1=O)C(C)(C)C)C(C)(C)C)C2(C)C
• InChI: InChI=1S/C27H47N5O4.C6H9NO2.C5H10/c1-25(2,3)17(15-31-13-11-10-12-18(31)33)29-24(36)30-21(26(4,5)6)23(35)32-14-16-19(27(16,7)8)20(32)22(34)28-9;1-3-4-7-6(9)5(2)8;1-5-3-2-4-5/h16-17,19-21H,10-15H2,1-9H3,(H,28,34)(H2,29,30,36);3H,1,4H2,2H3,(H,7,9);5H,2-4H2,1H3/t16?,17-,19+,20+,21-;;/m1../s1
• InChIKey: LOTDWRAKGSELQI-PBHIKSFNSA-N
• XLogP: 4.04
• TPSA: 157.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	702.98
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide?

The IUPAC name of (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide (CID 143355005) is (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide.

What is the SMILES notation for (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide?

The canonical SMILES for (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)=O.CC1CCC1.CNC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCCC1=O)C(C)(C)C)C(C)(C)C)C2(C)C.

What is the InChIKey of (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide?

The InChIKey is LOTDWRAKGSELQI-PBHIKSFNSA-N. The full InChI is InChI=1S/C27H47N5O4.C6H9NO2.C5H10/c1-25(2,3)17(15-31-13-11-10-12-18(31)33)29-24(36)30-21(26(4,5)6)23(35)32-14-16-19(27(16,7)8)20(32)22(34)28-9;1-3-4-7-6(9)5(2)8;1-5-3-2-4-5/h16-17,19-21H,10-15H2,1-9H3,(H,28,34)(H2,29,30,36);3H,1,4H2,2H3,(H,7,9);5H,2-4H2,1H3/t16?,17-,19+,20+,21-;;/m1../s1.

What are the key properties of (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide?

(1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide has a molecular weight of 702.98 g/mol, XLogP of 4.04, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S)-3-[(2S)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;methylcyclobutane;2-oxo-N-prop-2-enylpropanamide is sourced from PubChem (CID 143355005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).