(2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid

C13H13F5N2O5 — CID 175140699

IUPAC(2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@@H](Oc2ccc(OC(F)(F)F)cn2)C[C@H]1COC(F)F
InChIInChI=1S/C13H13F5N2O5/c14-11(15)23-6-7-3-9(5-20(7)12(21)22)24-10-2-1-8(4-19-10)25-13(16,17)18/h1-2,4,7,9,11H,3,5-6H2,(H,21,22)/t7-,9-/m0/s1
InChIKeyGNVCREMWZOIRBD-CBAPKCEASA-N
MW372.25 g/mol
LogP2.72
Rot. Bonds6

About (2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid

(2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid (PubChem CID 175140699) has the molecular formula C13H13F5N2O5 and a molecular weight of 372.25 g/mol. Its IUPAC name is (2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid
PubChem CID175140699
Molecular FormulaC13H13F5N2O5
Molecular Weight372.25 g/mol
Exact Mass372.07
IUPAC Name(2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@@H](Oc2ccc(OC(F)(F)F)cn2)C[C@H]1COC(F)F
InChIInChI=1S/C13H13F5N2O5/c14-11(15)23-6-7-3-9(5-20(7)12(21)22)24-10-2-1-8(4-19-10)25-13(16,17)18/h1-2,4,7,9,11H,3,5-6H2,(H,21,22)/t7-,9-/m0/s1
InChIKeyGNVCREMWZOIRBD-CBAPKCEASA-N
XLogP2.72
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

methyl 4-[(2S,4S)-2-(difluoromethoxymethyl)-4-[(5-methoxy-2-pyridinyl)oxy]pyrrolidin-1-yl]benzoate
CID 156774136
CID 174046580
CID 174046580
tert-butyl (2R,4R)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 156774761
3-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]cyclopentan-1-amine
CID 114281028
(2S,4R)-2-(acetyloxymethyl)-4-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 166644286
2-[(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-3-methylimidazole-4-carboxylic acid
CID 156774403
N-[(1S)-2-cyano-1-(4-ethylsulfonylphenyl)ethyl]-4-[(2S)-2-(difluoromethoxymethyl)-4-[[6-(trifluoromethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 166650389
[(2S,4S)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidin-2-yl]methyl methanesulfonate
CID 166644189
(2S)-2-(difluoromethoxymethyl)-5-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid
CID 166644106
4-[(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(4-methylimidazol-1-yl)phenoxy]pyrrolidin-1-yl]benzoic acid
CID 156774066
4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 129277675
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-2-carboxylic acid
CID 175576210

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid (CID 175140699) is (2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid is O=C(O)N1C[C@@H](Oc2ccc(OC(F)(F)F)cn2)C[C@H]1COC(F)F.
What is the InChIKey of (2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid?
The InChIKey is GNVCREMWZOIRBD-CBAPKCEASA-N. The full InChI is InChI=1S/C13H13F5N2O5/c14-11(15)23-6-7-3-9(5-20(7)12(21)22)24-10-2-1-8(4-19-10)25-13(16,17)18/h1-2,4,7,9,11H,3,5-6H2,(H,21,22)/t7-,9-/m0/s1.
What are the key properties of (2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid?
(2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid has a molecular weight of 372.25 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175140699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).