2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid

C10H19F3N2O2 — CID 55144888

IUPAC2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCNC(CCN(CC(F)(F)F)C(C)C)C(=O)O
InChIInChI=1S/C10H19F3N2O2/c1-7(2)15(6-10(11,12)13)5-4-8(14-3)9(16)17/h7-8,14H,4-6H2,1-3H3,(H,16,17)
InChIKeyZOMSXJKZSYNSSM-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.32
Rot. Bonds7

About 2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid

2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid (PubChem CID 55144888) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
PubChem CID55144888
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCNC(CCN(CC(F)(F)F)C(C)C)C(=O)O
InChIInChI=1S/C10H19F3N2O2/c1-7(2)15(6-10(11,12)13)5-4-8(14-3)9(16)17/h7-8,14H,4-6H2,1-3H3,(H,16,17)
InChIKeyZOMSXJKZSYNSSM-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid?
The IUPAC name of 2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid (CID 55144888) is 2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid.
What is the SMILES notation for 2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid?
The canonical SMILES for 2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid is CNC(CCN(CC(F)(F)F)C(C)C)C(=O)O.
What is the InChIKey of 2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid?
The InChIKey is ZOMSXJKZSYNSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-7(2)15(6-10(11,12)13)5-4-8(14-3)9(16)17/h7-8,14H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid?
2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid has a molecular weight of 256.27 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid is sourced from PubChem (CID 55144888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).