2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid

C10H14F3NO4 — CID 113352873

IUPAC2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COCC(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C10H14F3NO4/c1-9(8(16)17,6-2-3-6)14-7(15)4-18-5-10(11,12)13/h6H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyZFXNPGZKBOXRTL-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.93
Rot. Bonds6

About 2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid

2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid (PubChem CID 113352873) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
PubChem CID113352873
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COCC(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C10H14F3NO4/c1-9(8(16)17,6-2-3-6)14-7(15)4-18-5-10(11,12)13/h6H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyZFXNPGZKBOXRTL-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
CID 103206127
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568
2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
CID 61159841
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 111112881
2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid
CID 61161764
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806941
2-cyclopropyl-2-(5,5,5-trifluoropentylcarbamoylamino)propanoic acid
CID 115521493
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 119606098
2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 75472228
N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid (CID 113352873) is 2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid is CC(NC(=O)COCC(F)(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid?
The InChIKey is ZFXNPGZKBOXRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c1-9(8(16)17,6-2-3-6)14-7(15)4-18-5-10(11,12)13/h6H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid has a molecular weight of 269.22 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 113352873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).