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

C10H19F3N2O2 — CID 55144890

IUPACmethyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate
SMILESCOC(=O)C(N)CCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H19F3N2O2/c1-7(2)15(6-10(11,12)13)5-4-8(14)9(16)17-3/h7-8H,4-6,14H2,1-3H3
InChIKeyWORFRVVMEXFNNJ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.15
Rot. Bonds6

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

methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate (PubChem CID 55144890) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate
PubChem CID55144890
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Namemethyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate
SMILESCOC(=O)C(N)CCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H19F3N2O2/c1-7(2)15(6-10(11,12)13)5-4-8(14)9(16)17-3/h7-8H,4-6,14H2,1-3H3
InChIKeyWORFRVVMEXFNNJ-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate with MolForge

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Related Compounds

2-Amino-4-[butyl-[2-(2,2-difluoroethoxy)ethyl]amino]butanoic acid
CID 153342608
2-methylpropyl (2S)-2-amino-4-[[(2S)-2-fluoro-3-methoxypropyl]-methylamino]butanoate
CID 155277646
(2S)-2-amino-4-[3,3-difluoropropyl(methyl)amino]butanoic acid
CID 155277757
tert-butyl (2S)-2-amino-4-[[(2S)-2-fluoro-3-methoxypropyl]-methylamino]butanoate
CID 155277758
(2S)-2-amino-4-[[(2S)-2-fluoro-3-methoxypropyl]-methylamino]butanoic acid
CID 169567701
(2S)-2-amino-4-[3-fluoropropyl(methyl)amino]butanoic acid
CID 170124352
[(3R)-3-amino-3-carboxypropyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 170539707
[(3R)-3-amino-4-oxo-4-(2,2,2-trifluoroacetyl)oxybutyl]-trimethylazanium
CID 174158008
(3-Amino-3-carboxypropyl)-trimethylazanium;2,2,2-trifluoroacetate
CID 174202923
Methyl 2-amino-4-(3,3-difluoropiperidin-1-yl)butanoate
CID 175000792
[(3S)-3-amino-3-carboxypropyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 176085185
methyl (2R)-2-amino-4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 10728028

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate?
The IUPAC name of methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate (CID 55144890) is methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate.
What is the SMILES notation for methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate?
The canonical SMILES for methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate is COC(=O)C(N)CCN(CC(F)(F)F)C(C)C.
What is the InChIKey of methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate?
The InChIKey is WORFRVVMEXFNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-7(2)15(6-10(11,12)13)5-4-8(14)9(16)17-3/h7-8H,4-6,14H2,1-3H3.
What are the key properties of methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate?
methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate has a molecular weight of 256.27 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate is sourced from PubChem (CID 55144890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).