2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid

C12H21F3N2O2 — CID 63910343

IUPAC2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCNC(CN(CC(F)(F)F)C(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C12H21F3N2O2/c1-8(2)17(7-12(13,14)15)6-11(16-3,10(18)19)9-4-5-9/h8-9,16H,4-7H2,1-3H3,(H,18,19)
InChIKeyNMFOPPHUUKHHPI-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.71
Rot. Bonds7

About 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid

2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 63910343) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID63910343
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCNC(CN(CC(F)(F)F)C(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C12H21F3N2O2/c1-8(2)17(7-12(13,14)15)6-11(16-3,10(18)19)9-4-5-9/h8-9,16H,4-7H2,1-3H3,(H,18,19)
InChIKeyNMFOPPHUUKHHPI-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 63910343) is 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid is CNC(CN(CC(F)(F)F)C(C)C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is NMFOPPHUUKHHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(2)17(7-12(13,14)15)6-11(16-3,10(18)19)9-4-5-9/h8-9,16H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 282.31 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 63910343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).