(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid

C7H11F2NO4 — CID 175152885

IUPAC(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@H](O)C[C@H]1COC(F)F
InChIInChI=1S/C7H11F2NO4/c8-6(9)14-3-4-1-5(11)2-10(4)7(12)13/h4-6,11H,1-3H2,(H,12,13)/t4-,5+/m0/s1
InChIKeyPZYCGDSFEVWGDR-CRCLSJGQSA-N
MW211.16 g/mol
LogP0.34
Rot. Bonds3

About (2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid

(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 175152885) has the molecular formula C7H11F2NO4 and a molecular weight of 211.16 g/mol. Its IUPAC name is (2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID175152885
Molecular FormulaC7H11F2NO4
Molecular Weight211.16 g/mol
Exact Mass211.07
IUPAC Name(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@H](O)C[C@H]1COC(F)F
InChIInChI=1S/C7H11F2NO4/c8-6(9)14-3-4-1-5(11)2-10(4)7(12)13/h4-6,11H,1-3H2,(H,12,13)/t4-,5+/m0/s1
InChIKeyPZYCGDSFEVWGDR-CRCLSJGQSA-N
XLogP0.34
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 164780275
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
CID 155211250
1-[4-hydroxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 166590663
(2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid
CID 126509727
(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87590455
(2S)-2-(difluoromethoxymethyl)-5-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid
CID 166644106
4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid
CID 175156497
(2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 89466591
(2S,4S)-2-(difluoromethoxymethyl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid
CID 175140699
(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 141362787
tert-butyl (2S,4R)-2-(difluoromethoxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 156774187

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid (CID 175152885) is (2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid is O=C(O)N1C[C@H](O)C[C@H]1COC(F)F.
What is the InChIKey of (2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is PZYCGDSFEVWGDR-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H11F2NO4/c8-6(9)14-3-4-1-5(11)2-10(4)7(12)13/h4-6,11H,1-3H2,(H,12,13)/t4-,5+/m0/s1.
What are the key properties of (2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 211.16 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175152885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).