ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane

C23H44F3N3O5 — CID 166156787

IUPACethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane
SMILESCC.CC(C)C.CC(F)(F)F.CC(NC=O)C(=O)O.C[C@@H]1C2C(CN1C(=O)CNC=O)C2(C)C
InChIInChI=1S/C11H18N2O2.C4H7NO3.C4H10.C2H3F3.C2H6/c1-7-10-8(11(10,2)3)5-13(7)9(15)4-12-6-14;1-3(4(7)8)5-2-6;1-4(2)3;1-2(3,4)5;1-2/h6-8,10H,4-5H2,1-3H3,(H,12,14);2-3H,1H3,(H,5,6)(H,7,8);4H,1-3H3;1H3;1-2H3/t7-,8?,10?;;;;/m1..../s1
InChIKeyPQPQOKGXAGBWDU-XIGJOLLHSA-N
MW499.62 g/mol
LogP3.70
Rot. Bonds6

About ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane

ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane (PubChem CID 166156787) has the molecular formula C23H44F3N3O5 and a molecular weight of 499.62 g/mol. Its IUPAC name is ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane.

Molecular Properties

Compound Nameethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane
PubChem CID166156787
Molecular FormulaC23H44F3N3O5
Molecular Weight499.62 g/mol
Exact Mass499.32
IUPAC Nameethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane
SMILESCC.CC(C)C.CC(F)(F)F.CC(NC=O)C(=O)O.C[C@@H]1C2C(CN1C(=O)CNC=O)C2(C)C
InChIInChI=1S/C11H18N2O2.C4H7NO3.C4H10.C2H3F3.C2H6/c1-7-10-8(11(10,2)3)5-13(7)9(15)4-12-6-14;1-3(4(7)8)5-2-6;1-4(2)3;1-2(3,4)5;1-2/h6-8,10H,4-5H2,1-3H3,(H,12,14);2-3H,1H3,(H,5,6)(H,7,8);4H,1-3H3;1H3;1-2H3/t7-,8?,10?;;;;/m1..../s1
InChIKeyPQPQOKGXAGBWDU-XIGJOLLHSA-N
XLogP3.70
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane?
The IUPAC name of ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane (CID 166156787) is ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane.
What is the SMILES notation for ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane?
The canonical SMILES for ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane is CC.CC(C)C.CC(F)(F)F.CC(NC=O)C(=O)O.C[C@@H]1C2C(CN1C(=O)CNC=O)C2(C)C.
What is the InChIKey of ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane?
The InChIKey is PQPQOKGXAGBWDU-XIGJOLLHSA-N. The full InChI is InChI=1S/C11H18N2O2.C4H7NO3.C4H10.C2H3F3.C2H6/c1-7-10-8(11(10,2)3)5-13(7)9(15)4-12-6-14;1-3(4(7)8)5-2-6;1-4(2)3;1-2(3,4)5;1-2/h6-8,10H,4-5H2,1-3H3,(H,12,14);2-3H,1H3,(H,5,6)(H,7,8);4H,1-3H3;1H3;1-2H3/t7-,8?,10?;;;;/m1..../s1.
What are the key properties of ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane?
ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane has a molecular weight of 499.62 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-formamidopropanoic acid;2-methylpropane;N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]formamide;1,1,1-trifluoroethane is sourced from PubChem (CID 166156787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).