(2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol

C19H24N2O3 — CID 44177402

IUPAC(2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol
SMILESC1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)C2=CC=C(C=C2)C3=CC=CC=C3)O)O
InChIInChI=1S/C19H24N2O3/c22-12-17(20-10-16-19(24)18(23)11-21-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-24H,10-12H2/t16-,17+,18+,19-/m1/s1
InChIKeyFJDKXWCMHNTHKZ-YDZRNGNQSA-N
MW328.40 g/mol
LogP1.00
Rot. Bonds6

About (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol

(2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol (PubChem CID 44177402) has the molecular formula C19H24N2O3 and a molecular weight of 328.40 g/mol. Its IUPAC name is (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol
PubChem CID44177402
Molecular FormulaC19H24N2O3
Molecular Weight328.40 g/mol
Exact Mass328.18
IUPAC Name(2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol
SMILESC1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)C2=CC=C(C=C2)C3=CC=CC=C3)O)O
InChIInChI=1S/C19H24N2O3/c22-12-17(20-10-16-19(24)18(23)11-21-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-24H,10-12H2/t16-,17+,18+,19-/m1/s1
InChIKeyFJDKXWCMHNTHKZ-YDZRNGNQSA-N
XLogP1.00
TPSA84.80 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity368

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol (CID 44177402) is (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol is C1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)C2=CC=C(C=C2)C3=CC=CC=C3)O)O.
What is the InChIKey of (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol?
The InChIKey is FJDKXWCMHNTHKZ-YDZRNGNQSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-12-17(20-10-16-19(24)18(23)11-21-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-24H,10-12H2/t16-,17+,18+,19-/m1/s1.
What are the key properties of (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol?
(2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol has a molecular weight of 328.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 44177402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).