N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide

About N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide

N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (PubChem CID 167521967) has the molecular formula C21H40F3N5O3 and a molecular weight of 467.58 g/mol. Its IUPAC name is N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name	N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
PubChem CID	167521967
Molecular Formula	C21H40F3N5O3
Molecular Weight	467.58 g/mol
Exact Mass	467.31
IUPAC Name	N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
SMILES	CC.CC(C)C.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.N#CC(CN)NC=O
InChI	InChI=1S/C11H17F3N2O2.C4H7N3O.C4H10.C2H6/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;5-1-4(2-6)7-3-8;1-4(2)3;1-2/h7H,4-6H2,1-3H3,(H,15,18);3-4H,1,5H2,(H,7,8);4H,1-3H3;1-2H3/t7-;;;/m0.../s1
InChIKey	MFTINGMFRYTWQU-QTPLPEIMSA-N
XLogP	2.44
TPSA	128.32 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.58
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

The IUPAC name of N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (CID 167521967) is N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.

What is the SMILES notation for N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

The canonical SMILES for N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide is CC.CC(C)C.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.N#CC(CN)NC=O.

What is the InChIKey of N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

The InChIKey is MFTINGMFRYTWQU-QTPLPEIMSA-N. The full InChI is InChI=1S/C11H17F3N2O2.C4H7N3O.C4H10.C2H6/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;5-1-4(2-6)7-3-8;1-4(2)3;1-2/h7H,4-6H2,1-3H3,(H,15,18);3-4H,1,5H2,(H,7,8);4H,1-3H3;1-2H3/t7-;;;/m0.../s1.

What are the key properties of N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 467.58 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 167521967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).