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

C9H14F3NO3 — CID 79257706

IUPAC2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCCC1O
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-13(4-8(15)16)6-2-1-3-7(6)14/h6-7,14H,1-5H2,(H,15,16)
InChIKeyXXDVXTYDYBXXFS-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.85
Rot. Bonds4

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

2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257706) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257706
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCCC1O
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-13(4-8(15)16)6-2-1-3-7(6)14/h6-7,14H,1-5H2,(H,15,16)
InChIKeyXXDVXTYDYBXXFS-UHFFFAOYSA-N
XLogP0.85
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-(Hydroxymethyl)pyrrolidin-1-yl)acetic acid; trifluoroacetic acid
CID 165672165
Hexadecyl-(2-hydroxycyclopentyl)-dimethylazanium;2,2,2-trifluoroacetate
CID 156631394
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylic acid
CID 63900474
2-[Cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63901918
2-[5-Hydroxypentyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257768
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol
CID 103857817
trans-(1R,2R)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]cyclopentan-1-ol
CID 107483852
trans-(1S,2S)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]cyclopentan-1-ol
CID 107483856
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]cyclopentan-1-ol
CID 107483858
trans-(1R,2R)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol
CID 107483880
trans-(1S,2S)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol
CID 107483881
2-(4,4-Difluoro-2-(hydroxymethyl)pyrrolidin-1-yl)acetic acid
CID 121204059

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257706) is 2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C1CCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is XXDVXTYDYBXXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)5-13(4-8(15)16)6-2-1-3-7(6)14/h6-7,14H,1-5H2,(H,15,16).
What are the key properties of 2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 241.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).