3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid

C9H14F3NO3 — CID 79789161

IUPAC3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid
SMILESCC(NC1CCCC1O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-8(7(15)16,9(10,11)12)13-5-3-2-4-6(5)14/h5-6,13-14H,2-4H2,1H3,(H,15,16)
InChIKeyJMIRFHLRYQKXSK-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.89
Rot. Bonds3

About 3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid

3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid (PubChem CID 79789161) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid
PubChem CID79789161
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid
SMILESCC(NC1CCCC1O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-8(7(15)16,9(10,11)12)13-5-3-2-4-6(5)14/h5-6,13-14H,2-4H2,1H3,(H,15,16)
InChIKeyJMIRFHLRYQKXSK-UHFFFAOYSA-N
XLogP0.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-Trifluoro-2-(5-hydroxypentylamino)-2-methylpropanoic acid
CID 79791803
3,3,3-Trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 79791816
(2S)-2-[[(2R)-3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxyhexyl]amino]butanoic acid
CID 101641001
(2S)-2-[[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxyhexyl]amino]butanoic acid
CID 101641002
(2S)-2-[[(2R)-3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxyhexyl]amino]propanoic acid
CID 101641037
(2S)-2-[[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxyhexyl]amino]propanoic acid
CID 101641038
3,3,3-Trifluoro-2-methyl-2-[(5-methyloxolan-2-yl)methylamino]propanoic acid
CID 103135999
3,3,3-Trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanoic acid
CID 103248545
2,2-Difluoro-3-[(2-hydroxycyclopentyl)amino]propanoic acid
CID 165789200
2-[(2-Hydroxycyclopentyl)amino]acetic acid
CID 60885665
2-[(2-Hydroxycyclopentyl)amino]propanoic acid
CID 60885869
2-[(2-Hydroxycyclopentyl)amino]-3-methylbutanoic acid
CID 60885870

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid (CID 79789161) is 3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid is CC(NC1CCCC1O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid?
The InChIKey is JMIRFHLRYQKXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-8(7(15)16,9(10,11)12)13-5-3-2-4-6(5)14/h5-6,13-14H,2-4H2,1H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid has a molecular weight of 241.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-hydroxycyclopentyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79789161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).