(2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide

C7H13F3N2O2 — CID 164604281

IUPAC(2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-4(5(11)6(13)12-2)14-3-7(8,9)10/h4-5H,3,11H2,1-2H3,(H,12,13)/t4-,5+/m1/s1
InChIKeyXZAOEEQVMHXZAY-UHNVWZDZSA-N
MW214.19 g/mol
LogP0.03
Rot. Bonds4

About (2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide

(2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 164604281) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide
PubChem CID164604281
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name(2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-4(5(11)6(13)12-2)14-3-7(8,9)10/h4-5H,3,11H2,1-2H3,(H,12,13)/t4-,5+/m1/s1
InChIKeyXZAOEEQVMHXZAY-UHNVWZDZSA-N
XLogP0.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of (2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide (CID 164604281) is (2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for (2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide is CNC(=O)[C@@H](N)[C@@H](C)OCC(F)(F)F.
What is the InChIKey of (2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is XZAOEEQVMHXZAY-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-4(5(11)6(13)12-2)14-3-7(8,9)10/h4-5H,3,11H2,1-2H3,(H,12,13)/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide?
(2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 214.19 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-methyl-3-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 164604281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).