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

C7H10F3NO2 — CID 60833696

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-11(3-6(12)13)5-1-2-5/h5H,1-4H2,(H,12,13)
InChIKeyVOBLKOIXGYQKMZ-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.10
Rot. Bonds4

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

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 60833696) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID60833696
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-11(3-6(12)13)5-1-2-5/h5H,1-4H2,(H,12,13)
InChIKeyVOBLKOIXGYQKMZ-UHFFFAOYSA-N
XLogP1.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 60833696) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VOBLKOIXGYQKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)4-11(3-6(12)13)5-1-2-5/h5H,1-4H2,(H,12,13).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 197.16 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 60833696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).