(2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide

C10H17F3N2O2 — CID 164604200

IUPAC(2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-6(7(14)8(16)15-2)17-5-9(3-4-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16)/t6-,7+/m1/s1
InChIKeyQMOQELILPHEIJF-RQJHMYQMSA-N
MW254.25 g/mol
LogP0.81
Rot. Bonds5

About (2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide

(2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide (PubChem CID 164604200) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide
PubChem CID164604200
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name(2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-6(7(14)8(16)15-2)17-5-9(3-4-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16)/t6-,7+/m1/s1
InChIKeyQMOQELILPHEIJF-RQJHMYQMSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.81
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-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
The IUPAC name of (2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide (CID 164604200) is (2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
The canonical SMILES for (2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide is CNC(=O)[C@@H](N)[C@@H](C)OCC1(C(F)(F)F)CC1.
What is the InChIKey of (2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
The InChIKey is QMOQELILPHEIJF-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-6(7(14)8(16)15-2)17-5-9(3-4-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16)/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
(2S,3R)-2-amino-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide has a molecular weight of 254.25 g/mol, XLogP of 0.81, 5 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-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide is sourced from PubChem (CID 164604200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).