(2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid

C8H14F3NO2 — CID 145260133

IUPAC(2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid
SMILESCCN(C)CCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-12(2)5-4-6(7(13)14)8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyNZANOEPYLGDXIJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.59
Rot. Bonds5

About (2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid

(2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid (PubChem CID 145260133) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is (2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid.

Molecular Properties

Compound Name(2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid
PubChem CID145260133
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name(2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid
SMILESCCN(C)CCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-12(2)5-4-6(7(13)14)8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyNZANOEPYLGDXIJ-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)pentanoic acid
CID 20539748
2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
3,3,3-trifluoro-2-[[methyl(2-methylpropyl)amino]methyl]propanoic acid
CID 80996963
2-[[3-(diethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 102994780
3,3,3-trifluoro-2-(sulfanylmethyl)propanoic acid
CID 15311141
3,3,3-trifluoro-2-[[methyl(4-methylpentan-2-yl)amino]methyl]propanoic acid
CID 80996742
4,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 58559804
2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid
CID 23113136
CID 167553743
CID 167553743
2-[(3-ethylpentan-3-ylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 103253838
N,N-dimethyl-2-(trifluoromethyl)butanamide
CID 87943851
2-[[2-(diethylamino)-2-oxoethyl]sulfinylmethyl]-3,3,3-trifluoropropanoic acid
CID 114232465

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid?
The IUPAC name of (2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid (CID 145260133) is (2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid.
What is the SMILES notation for (2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid?
The canonical SMILES for (2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid is CCN(C)CCC(C(=O)O)C(F)(F)F.
What is the InChIKey of (2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid?
The InChIKey is NZANOEPYLGDXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-12(2)5-4-6(7(13)14)8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of (2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid?
(2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid has a molecular weight of 213.20 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid is sourced from PubChem (CID 145260133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).