(2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid

C8H15F3N2O3 — CID 86625697

IUPAC(2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid
SMILESCN[C@@H](C)C(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-5(7-2)6(9)8(3)4;3-2(4,5)1(6)7/h5,7H,1-4H3;(H,6,7)/t5-;/m0./s1
InChIKeyYNBJUDNUAVKSLM-JEDNCBNOSA-N
MW244.21 g/mol
LogP0.32
Rot. Bonds2

About (2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid

(2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 86625697) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid
PubChem CID86625697
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name(2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid
SMILESCN[C@@H](C)C(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-5(7-2)6(9)8(3)4;3-2(4,5)1(6)7/h5,7H,1-4H3;(H,6,7)/t5-;/m0./s1
InChIKeyYNBJUDNUAVKSLM-JEDNCBNOSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

L-alanyl-L-alanine trifluoroacetate
CID 49796171
(R)-2-((R)-2-Aminopropanamido)propanoic acid 2,2,2-trifluoroacetate
CID 49796169
N-trifluoroacetyl alanyl glycine
CID 137552848
N-(Trifluoroacetyl)-L-alanyl-L-alanine
CID 13798981
2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid
CID 19827986
N,N-dimethyl-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
CID 21936835
2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
CID 22411341
(2S)-2-amino-N,N-dimethylpropanamide trifluoroacetate
CID 22860858
1-Propylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 67085125
1-[3-(Methylamino)azetidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 68585354
(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 69430284
(2S)-2-amino-N,N-dimethyl butanamide trifluoroacetate
CID 86625698

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid (CID 86625697) is (2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid is CN[C@@H](C)C(=O)N(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is YNBJUDNUAVKSLM-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O.C2HF3O2/c1-5(7-2)6(9)8(3)4;3-2(4,5)1(6)7/h5,7H,1-4H3;(H,6,7)/t5-;/m0./s1.
What are the key properties of (2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid?
(2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 244.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86625697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).