(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid

C7H8F3NO4 — CID 79000770

IUPAC(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO4/c8-7(9,10)6(15)11-2-3(12)1-4(11)5(13)14/h3-4,12H,1-2H2,(H,13,14)/t3-,4-/m1/s1
InChIKeyNADYOCLURPXIBF-QWWZWVQMSA-N
MW227.14 g/mol
LogP-0.40
Rot. Bonds1

About (2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 79000770) has the molecular formula C7H8F3NO4 and a molecular weight of 227.14 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
PubChem CID79000770
Molecular FormulaC7H8F3NO4
Molecular Weight227.14 g/mol
Exact Mass227.04
IUPAC Name(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO4/c8-7(9,10)6(15)11-2-3(12)1-4(11)5(13)14/h3-4,12H,1-2H2,(H,13,14)/t3-,4-/m1/s1
InChIKeyNADYOCLURPXIBF-QWWZWVQMSA-N
XLogP-0.40
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
CID 87217284
(2R,4S)-4-methoxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 93310397
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843531
4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43183753
4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 103205789
(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 45080923
(2S,4R)-4-hydroxy-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63843566
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid (CID 79000770) is (2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)C(F)(F)F.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NADYOCLURPXIBF-QWWZWVQMSA-N. The full InChI is InChI=1S/C7H8F3NO4/c8-7(9,10)6(15)11-2-3(12)1-4(11)5(13)14/h3-4,12H,1-2H2,(H,13,14)/t3-,4-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 227.14 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).