2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid

C10H16F3NO3 — CID 63918604

IUPAC2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCCNC(COCC(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C10H16F3NO3/c1-2-14-9(8(15)16,7-3-4-7)5-17-6-10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyCJOFAVSGEAAXPY-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.41
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid

2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid (PubChem CID 63918604) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid
PubChem CID63918604
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCCNC(COCC(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C10H16F3NO3/c1-2-14-9(8(15)16,7-3-4-7)5-17-6-10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyCJOFAVSGEAAXPY-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid (CID 63918604) is 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid is CCNC(COCC(F)(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid?
The InChIKey is CJOFAVSGEAAXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-14-9(8(15)16,7-3-4-7)5-17-6-10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid?
2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid is sourced from PubChem (CID 63918604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).