(2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol

C20H25FN2O3 — CID 11485203

IUPAC(2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
SMILESO[C@H]1[C@@H](O)CN[C@@H]1CN[C@@H](COCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C20H25FN2O3/c21-16-8-4-5-14(9-16)12-26-13-18(15-6-2-1-3-7-15)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
InChIKeyDJYLNBQRSVBZCR-FUMNGEBKSA-N
MW360.43 g/mol
LogP1.37
Rot. Bonds8

About (2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol

(2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol (PubChem CID 11485203) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is (2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
PubChem CID11485203
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name(2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
SMILESO[C@H]1[C@@H](O)CN[C@@H]1CN[C@@H](COCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C20H25FN2O3/c21-16-8-4-5-14(9-16)12-26-13-18(15-6-2-1-3-7-15)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
InChIKeyDJYLNBQRSVBZCR-FUMNGEBKSA-N
XLogP1.37
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol (CID 11485203) is (2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol is O[C@H]1[C@@H](O)CN[C@@H]1CN[C@@H](COCc1cccc(F)c1)c1ccccc1.
What is the InChIKey of (2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol?
The InChIKey is DJYLNBQRSVBZCR-FUMNGEBKSA-N. The full InChI is InChI=1S/C20H25FN2O3/c21-16-8-4-5-14(9-16)12-26-13-18(15-6-2-1-3-7-15)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1.
What are the key properties of (2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol?
(2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol has a molecular weight of 360.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 11485203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).