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

C11H19F3N2O2 — CID 63910149

IUPAC2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(C)N(CC(F)(F)F)CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C11H19F3N2O2/c1-7(2)16(6-11(12,13)14)5-10(15,9(17)18)8-3-4-8/h7-8H,3-6,15H2,1-2H3,(H,17,18)
InChIKeyAIBVJUGEHNAQOA-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.45
Rot. Bonds6

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

2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 63910149) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID63910149
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(C)N(CC(F)(F)F)CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C11H19F3N2O2/c1-7(2)16(6-11(12,13)14)5-10(15,9(17)18)8-3-4-8/h7-8H,3-6,15H2,1-2H3,(H,17,18)
InChIKeyAIBVJUGEHNAQOA-UHFFFAOYSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 63910149) is 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid is CC(C)N(CC(F)(F)F)CC(N)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is AIBVJUGEHNAQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-7(2)16(6-11(12,13)14)5-10(15,9(17)18)8-3-4-8/h7-8H,3-6,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 268.28 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 63910149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).