(2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid

C6H8F3NO4 — CID 102038622

IUPAC(2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(C(F)(F)F)NC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H8F3NO4/c7-6(8,9)5(4(13)14)3(12)2(11)1-10-5/h2-3,10-12H,1H2,(H,13,14)/t2-,3-,5+/m1/s1
InChIKeyHRWMNDCQVGGXQD-KUCRYNDESA-N
MW215.13 g/mol
LogP-1.30
Rot. Bonds1

About (2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid

(2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid (PubChem CID 102038622) has the molecular formula C6H8F3NO4 and a molecular weight of 215.13 g/mol. Its IUPAC name is (2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
PubChem CID102038622
Molecular FormulaC6H8F3NO4
Molecular Weight215.13 g/mol
Exact Mass215.04
IUPAC Name(2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(C(F)(F)F)NC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H8F3NO4/c7-6(8,9)5(4(13)14)3(12)2(11)1-10-5/h2-3,10-12H,1H2,(H,13,14)/t2-,3-,5+/m1/s1
InChIKeyHRWMNDCQVGGXQD-KUCRYNDESA-N
XLogP-1.30
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid
CID 58111748
3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 67431030
6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 82400684
pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid
CID 175175789
3-[(2R,3R,4R)-2,3,4-trihydroxypyrrolidin-2-yl]propanoic acid
CID 67341797
4-hydroxypyrrolidine-2,2-dicarboxylic acid
CID 19426691
(2S)-4-hydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 57368515
2-methyl-4-phenylimidazolidine-2-carboxylic acid
CID 68755333
2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 58388253
3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 155820000
(3S,4S)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 96868579
(4S)-2-oxo-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 102171467

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid (CID 102038622) is (2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@]1(C(F)(F)F)NC[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HRWMNDCQVGGXQD-KUCRYNDESA-N. The full InChI is InChI=1S/C6H8F3NO4/c7-6(8,9)5(4(13)14)3(12)2(11)1-10-5/h2-3,10-12H,1H2,(H,13,14)/t2-,3-,5+/m1/s1.
What are the key properties of (2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
(2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 215.13 g/mol, XLogP of -1.30, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102038622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).