2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C9H15F3N2O3 — CID 79257755

IUPAC2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCNC(C)(C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-8(2,13-3)7(17)14(4-6(15)16)5-9(10,11)12/h13H,4-5H2,1-3H3,(H,15,16)
InChIKeyWXZNHGCNSQYFNT-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.46
Rot. Bonds5

About 2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257755) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257755
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCNC(C)(C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-8(2,13-3)7(17)14(4-6(15)16)5-9(10,11)12/h13H,4-5H2,1-3H3,(H,15,16)
InChIKeyWXZNHGCNSQYFNT-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.46
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
2-Methylalanylglycine
CID 61264667
t-Butyl-alanyl-l-alanine
CID 124158616
Dimethyl-oxaloylglycine
CID 129717323
N-(Trifluoroacetyl)-L-alanyl-L-alanine
CID 13798981
2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid
CID 19827986
(2S)-2-[[(2S)-2-amino-3-fluoropropanoyl]amino]propanoic acid
CID 22818766
Tert-butyl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid
CID 53249925
2-[[3-(Methylamino)-3-oxopropyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258862
(2S)-N,N-dimethyl-2-(methyl amino) propanamide trifluoroacetate
CID 86625697

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257755) is 2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CNC(C)(C)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WXZNHGCNSQYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-8(2,13-3)7(17)14(4-6(15)16)5-9(10,11)12/h13H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 256.22 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).