2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid

C8H10F3NO3 — CID 79258135

IUPAC2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)C1CC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)4-12(3-6(13)14)7(15)5-1-2-5/h5H,1-4H2,(H,13,14)
InChIKeyYXEFMTAIJBOSBR-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.87
Rot. Bonds4

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

2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258135) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258135
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)C1CC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)4-12(3-6(13)14)7(15)5-1-2-5/h5H,1-4H2,(H,13,14)
InChIKeyYXEFMTAIJBOSBR-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258135) is 2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)C1CC1.
What is the InChIKey of 2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YXEFMTAIJBOSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)4-12(3-6(13)14)7(15)5-1-2-5/h5H,1-4H2,(H,13,14).
What are the key properties of 2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 225.17 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).