2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide

C9H15F3N4O3 — CID 54871558

IUPAC2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C9H15F3N4O3/c1-16(8(19)5(13)2-6(14)17)3-7(18)15-4-9(10,11)12/h5H,2-4,13H2,1H3,(H2,14,17)(H,15,18)
InChIKeySTFZYRAQAMPTBL-UHFFFAOYSA-N
MW284.24 g/mol
LogP-1.67
Rot. Bonds6

About 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide

2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide (PubChem CID 54871558) has the molecular formula C9H15F3N4O3 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide
PubChem CID54871558
Molecular FormulaC9H15F3N4O3
Molecular Weight284.24 g/mol
Exact Mass284.11
IUPAC Name2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C9H15F3N4O3/c1-16(8(19)5(13)2-6(14)17)3-7(18)15-4-9(10,11)12/h5H,2-4,13H2,1H3,(H2,14,17)(H,15,18)
InChIKeySTFZYRAQAMPTBL-UHFFFAOYSA-N
XLogP-1.67
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide?
The IUPAC name of 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide (CID 54871558) is 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide is CN(CC(=O)NCC(F)(F)F)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide?
The InChIKey is STFZYRAQAMPTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O3/c1-16(8(19)5(13)2-6(14)17)3-7(18)15-4-9(10,11)12/h5H,2-4,13H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide?
2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide has a molecular weight of 284.24 g/mol, XLogP of -1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanediamide is sourced from PubChem (CID 54871558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).