ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate

C9H17F3N2O2 — CID 63053351

IUPACethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-16-8(15)7(13)4-5-14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyGEBCWCATWZPKFI-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.76
Rot. Bonds6

About ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate

ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate (PubChem CID 63053351) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate
PubChem CID63053351
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Nameethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-16-8(15)7(13)4-5-14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyGEBCWCATWZPKFI-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-amino-5,5,5-trifluoropentanoate
CID 95378431
ethyl (2S)-2-amino-5,5,5-trifluoropentanoate;hydrochloride
CID 154727174
ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
CID 63029409
ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate
CID 63054415
ethyl 2-amino-5-(dimethylamino)pentanoate
CID 114525469
ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride
CID 71743234
(2R)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107568767
ethyl 2-amino-4-(3,3,3-trifluoropropylsulfanyl)butanoate
CID 64553138
2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 63053244
ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate
CID 63030150
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 107480919

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate?
The IUPAC name of ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate (CID 63053351) is ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate?
The canonical SMILES for ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate is CCOC(=O)C(N)CCN(C)CC(F)(F)F.
What is the InChIKey of ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate?
The InChIKey is GEBCWCATWZPKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-3-16-8(15)7(13)4-5-14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3.
What are the key properties of ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate?
ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate has a molecular weight of 242.24 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate is sourced from PubChem (CID 63053351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).