2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C12H18F3NO3 — CID 79258138

IUPAC2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C)C(C(=O)N(CC(=O)O)CC(F)(F)F)C1(C)C
InChIInChI=1S/C12H18F3NO3/c1-10(2)8(11(10,3)4)9(19)16(5-7(17)18)6-12(13,14)15/h8H,5-6H2,1-4H3,(H,17,18)
InChIKeyIDZMGLGHCFWVBM-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.14
Rot. Bonds4

About 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258138) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258138
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C)C(C(=O)N(CC(=O)O)CC(F)(F)F)C1(C)C
InChIInChI=1S/C12H18F3NO3/c1-10(2)8(11(10,3)4)9(19)16(5-7(17)18)6-12(13,14)15/h8H,5-6H2,1-4H3,(H,17,18)
InChIKeyIDZMGLGHCFWVBM-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258138) is 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1(C)C(C(=O)N(CC(=O)O)CC(F)(F)F)C1(C)C.
What is the InChIKey of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IDZMGLGHCFWVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-10(2)8(11(10,3)4)9(19)16(5-7(17)18)6-12(13,14)15/h8H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 281.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).