2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid

C6H10F3NO2 — CID 60892344

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(5(11)12)10(2)3-6(7,8)9/h4H,3H2,1-2H3,(H,11,12)
InChIKeyPANOWPXVQDUVRH-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.95
Rot. Bonds3

About 2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid

2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 60892344) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID60892344
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(5(11)12)10(2)3-6(7,8)9/h4H,3H2,1-2H3,(H,11,12)
InChIKeyPANOWPXVQDUVRH-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylalanine
CID 5488191
N,N-Bis(carboxymethyl)alanine
CID 425415
(2R)-2-(dimethylamino)propanoic acid
CID 151045
(2R)-2-(diethylamino)propanoic acid
CID 15115621
2-Dimethylamino-propionic acid
CID 11788290
Methylglycine diacetic acid
CID 18656106
N,N-diethylalanine
CID 15115622
Diethyl-L-alanine
CID 18664197
2-[Carboxymethyl(methyl)amino]propanoic acid
CID 21407002
(D)-Alanin-N,N-diessig
CID 56649807
2-(Dimethylamino)-2-fluoropropanoic acid
CID 19913427
N-Isopropyl-N-methylglycine
CID 22015279

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 60892344) is 2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is CC(C(=O)O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is PANOWPXVQDUVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(5(11)12)10(2)3-6(7,8)9/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 185.14 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 60892344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).