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

C9H15F3N2O2 — CID 63911716

IUPAC2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCN(CC(F)(F)F)CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C9H15F3N2O2/c1-14(5-9(10,11)12)4-8(13,7(15)16)6-2-3-6/h6H,2-5,13H2,1H3,(H,15,16)
InChIKeyCJYKKMMQKWVICY-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.67
Rot. Bonds5

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

2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 63911716) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID63911716
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCN(CC(F)(F)F)CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C9H15F3N2O2/c1-14(5-9(10,11)12)4-8(13,7(15)16)6-2-3-6/h6H,2-5,13H2,1H3,(H,15,16)
InChIKeyCJYKKMMQKWVICY-UHFFFAOYSA-N
XLogP0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.67
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-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 63911716) is 2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is CN(CC(F)(F)F)CC(N)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is CJYKKMMQKWVICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-14(5-9(10,11)12)4-8(13,7(15)16)6-2-3-6/h6H,2-5,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 240.22 g/mol, XLogP of 0.67, 5 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-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 63911716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).