(2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid

C13H15F2NO4 — CID 168737345

IUPAC(2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](OCc2ccc(OC(F)F)cc2)CN1
InChIInChI=1S/C13H15F2NO4/c14-13(15)20-9-3-1-8(2-4-9)7-19-10-5-11(12(17)18)16-6-10/h1-4,10-11,13,16H,5-7H2,(H,17,18)/t10-,11-/m0/s1
InChIKeyFOBRHGJTZOKIAM-QWRGUYRKSA-N
MW287.26 g/mol
LogP1.62
Rot. Bonds6

About (2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid

(2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid (PubChem CID 168737345) has the molecular formula C13H15F2NO4 and a molecular weight of 287.26 g/mol. Its IUPAC name is (2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid
PubChem CID168737345
Molecular FormulaC13H15F2NO4
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Name(2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](OCc2ccc(OC(F)F)cc2)CN1
InChIInChI=1S/C13H15F2NO4/c14-13(15)20-9-3-1-8(2-4-9)7-19-10-5-11(12(17)18)16-6-10/h1-4,10-11,13,16H,5-7H2,(H,17,18)/t10-,11-/m0/s1
InChIKeyFOBRHGJTZOKIAM-QWRGUYRKSA-N
XLogP1.62
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-4-(3-fluoro-phenoxymethyl)-pyrrolidine-2-carboxylic acid
CID 10376960
(2S,4S)-4-phenoxypyrrolidine-2-carboxylic Acid
CID 11160066
(2S,4S)-4-(2,3-dihydro-1-benzofuran-6-yloxy)pyrrolidine-2-carboxylic acid
CID 54581822
(2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid
CID 54587697
(2S,4S)-4-[4-(trifluoromethoxy)phenoxy]pyrrolidine-2-carboxylic acid
CID 54584746
(2S,4R)-4-[3-(carboxymethyl)phenoxy]pyrrolidine-2-carboxylic acid
CID 90480166
(2S,4R)-4-[2-(carboxymethyl)phenoxy]pyrrolidine-2-carboxylic acid
CID 90480168
(2S,4S)-4-(2-cyanophenoxy)pyrrolidine-2-carboxylic acid
CID 54582800
(2S,4R)-4-hydroxy-4-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 71508393
(2R,4S)-4-hydroxy-4-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 71508495
(2S,4R)-4-(4-carboxyphenoxy)pyrrolidine-2-carboxylic acid;hydrochloride
CID 90480101
(2S,4S)-4-(4-carboxyphenoxy)pyrrolidine-2-carboxylic acid;hydrochloride
CID 137633891

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid (CID 168737345) is (2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](OCc2ccc(OC(F)F)cc2)CN1.
What is the InChIKey of (2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid?
The InChIKey is FOBRHGJTZOKIAM-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H15F2NO4/c14-13(15)20-9-3-1-8(2-4-9)7-19-10-5-11(12(17)18)16-6-10/h1-4,10-11,13,16H,5-7H2,(H,17,18)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid has a molecular weight of 287.26 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[[4-(difluoromethoxy)phenyl]methoxy]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 168737345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).