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

C9H14F3NO2 — CID 60833966

IUPAC2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-13(5-8(14)15)7-3-1-2-4-7/h7H,1-6H2,(H,14,15)
InChIKeyICUUKZSYWCWWLW-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.88
Rot. Bonds4

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

2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 60833966) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID60833966
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-13(5-8(14)15)7-3-1-2-4-7/h7H,1-6H2,(H,14,15)
InChIKeyICUUKZSYWCWWLW-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 60833966) is 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ICUUKZSYWCWWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)6-13(5-8(14)15)7-3-1-2-4-7/h7H,1-6H2,(H,14,15).
What are the key properties of 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 225.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 60833966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).