N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane

C22H38F3N5O4 — CID 166157254

IUPACN-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
SMILESCC(C)C.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.NC(CC1CCNC1=O)NC=O
InChIInChI=1S/C11H15F3N2O2.C7H13N3O2.C4H10/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;8-6(10-4-11)3-5-1-2-9-7(5)12;1-4(2)3/h6-7H,3-5H2,1-2H3,(H,15,18);4-6H,1-3,8H2,(H,9,12)(H,10,11);4H,1-3H3
InChIKeyFLTSPTGZWOWENW-UHFFFAOYSA-N
MW493.57 g/mol
LogP0.99
Rot. Bonds6

About N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane

N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane (PubChem CID 166157254) has the molecular formula C22H38F3N5O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane.

Molecular Properties

Compound NameN-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
PubChem CID166157254
Molecular FormulaC22H38F3N5O4
Molecular Weight493.57 g/mol
Exact Mass493.29
IUPAC NameN-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
SMILESCC(C)C.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.NC(CC1CCNC1=O)NC=O
InChIInChI=1S/C11H15F3N2O2.C7H13N3O2.C4H10/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;8-6(10-4-11)3-5-1-2-9-7(5)12;1-4(2)3/h6-7H,3-5H2,1-2H3,(H,15,18);4-6H,1-3,8H2,(H,9,12)(H,10,11);4H,1-3H3
InChIKeyFLTSPTGZWOWENW-UHFFFAOYSA-N
XLogP0.99
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
The IUPAC name of N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane (CID 166157254) is N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane.
What is the SMILES notation for N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
The canonical SMILES for N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane is CC(C)C.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.NC(CC1CCNC1=O)NC=O.
What is the InChIKey of N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
The InChIKey is FLTSPTGZWOWENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2.C7H13N3O2.C4H10/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;8-6(10-4-11)3-5-1-2-9-7(5)12;1-4(2)3/h6-7H,3-5H2,1-2H3,(H,15,18);4-6H,1-3,8H2,(H,9,12)(H,10,11);4H,1-3H3.
What are the key properties of N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane has a molecular weight of 493.57 g/mol, XLogP of 0.99, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane is sourced from PubChem (CID 166157254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).