4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid

C9H12F3NO5 — CID 103205789

IUPAC4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)COCC(F)(F)F
InChIInChI=1S/C9H12F3NO5/c10-9(11,12)4-18-3-7(15)13-2-5(14)1-6(13)8(16)17/h5-6,14H,1-4H2,(H,16,17)
InChIKeyYTGSJPJYSWESER-UHFFFAOYSA-N
MW271.19 g/mol
LogP-0.39
Rot. Bonds4

About 4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 103205789) has the molecular formula C9H12F3NO5 and a molecular weight of 271.19 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID103205789
Molecular FormulaC9H12F3NO5
Molecular Weight271.19 g/mol
Exact Mass271.07
IUPAC Name4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)COCC(F)(F)F
InChIInChI=1S/C9H12F3NO5/c10-9(11,12)4-18-3-7(15)13-2-5(14)1-6(13)8(16)17/h5-6,14H,1-4H2,(H,16,17)
InChIKeyYTGSJPJYSWESER-UHFFFAOYSA-N
XLogP-0.39
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778390
1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79473431
(2S,4S)-1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79478912
(2R,4R)-1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79479127
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
(2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857293
(2S,4R)-1-[2-(azetidin-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64610216
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid (CID 103205789) is 4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)COCC(F)(F)F.
What is the InChIKey of 4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YTGSJPJYSWESER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO5/c10-9(11,12)4-18-3-7(15)13-2-5(14)1-6(13)8(16)17/h5-6,14H,1-4H2,(H,16,17).
What are the key properties of 4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 271.19 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103205789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).