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

C11H19F3N2O2 — CID 63910543

IUPAC2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCCN(CC(F)(F)F)CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C11H19F3N2O2/c1-2-5-16(7-11(12,13)14)6-10(15,9(17)18)8-3-4-8/h8H,2-7,15H2,1H3,(H,17,18)
InChIKeyRBXYAIITZXLJMA-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.45
Rot. Bonds7

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

2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 63910543) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID63910543
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCCN(CC(F)(F)F)CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C11H19F3N2O2/c1-2-5-16(7-11(12,13)14)6-10(15,9(17)18)8-3-4-8/h8H,2-7,15H2,1H3,(H,17,18)
InChIKeyRBXYAIITZXLJMA-UHFFFAOYSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 63910543) is 2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid is CCCN(CC(F)(F)F)CC(N)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is RBXYAIITZXLJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-5-16(7-11(12,13)14)6-10(15,9(17)18)8-3-4-8/h8H,2-7,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 268.28 g/mol, XLogP of 1.45, 7 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-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 63910543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).