tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide

C27H51N5O6 — CID 167482040

About tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide

tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide (PubChem CID 167482040) has the molecular formula C27H51N5O6 and a molecular weight of 541.73 g/mol. Its IUPAC name is tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide.

Molecular Properties

• Compound Name: tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide
• PubChem CID: 167482040
• Molecular Formula: C27H51N5O6
• Molecular Weight: 541.73 g/mol
• Exact Mass: 541.38
• IUPAC Name: tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide
• SMILES: CC(C)(C)OC(=O)NCC(=O)N1CC2C(C1)C2(C)C.CC(C)C.CN.O=CNC(C=O)CC1CCNC1=O
• InChI: InChI=1S/C14H24N2O3.C8H12N2O3.C4H10.CH5N/c1-13(2,3)19-12(18)15-6-11(17)16-7-9-10(8-16)14(9,4)5;11-4-7(10-5-12)3-6-1-2-9-8(6)13;1-4(2)3;1-2/h9-10H,6-8H2,1-5H3,(H,15,18);4-7H,1-3H2,(H,9,13)(H,10,12);4H,1-3H3;2H2,1H3
• InChIKey: MLODLMJAUJUQIO-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 159.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.73
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide?

The IUPAC name of tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide (CID 167482040) is tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide.

What is the SMILES notation for tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide?

The canonical SMILES for tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide is CC(C)(C)OC(=O)NCC(=O)N1CC2C(C1)C2(C)C.CC(C)C.CN.O=CNC(C=O)CC1CCNC1=O.

What is the InChIKey of tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide?

The InChIKey is MLODLMJAUJUQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3.C8H12N2O3.C4H10.CH5N/c1-13(2,3)19-12(18)15-6-11(17)16-7-9-10(8-16)14(9,4)5;11-4-7(10-5-12)3-6-1-2-9-8(6)13;1-4(2)3;1-2/h9-10H,6-8H2,1-5H3,(H,15,18);4-7H,1-3H2,(H,9,13)(H,10,12);4H,1-3H3;2H2,1H3.

What are the key properties of tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide?

tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide has a molecular weight of 541.73 g/mol, XLogP of 1.69, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate;methanamine;2-methylpropane;N-[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]formamide is sourced from PubChem (CID 167482040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).