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

C14H22N2O3 — CID 11277122

IUPAC(2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
SMILESCOC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C14H22N2O3/c1-19-9-12(10-5-3-2-4-6-10)15-7-11-14(18)13(17)8-16-11/h2-6,11-18H,7-9H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKeyLBDZNBLTXQQPGI-ZOBORPQBSA-N
MW266.34 g/mol
LogP-0.34
Rot. Bonds6

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

(2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol (PubChem CID 11277122) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
PubChem CID11277122
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
SMILESCOC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C14H22N2O3/c1-19-9-12(10-5-3-2-4-6-10)15-7-11-14(18)13(17)8-16-11/h2-6,11-18H,7-9H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKeyLBDZNBLTXQQPGI-ZOBORPQBSA-N
XLogP-0.34
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.34
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-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol (CID 11277122) is (2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol is COC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1.
What is the InChIKey of (2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol?
The InChIKey is LBDZNBLTXQQPGI-ZOBORPQBSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-19-9-12(10-5-3-2-4-6-10)15-7-11-14(18)13(17)8-16-11/h2-6,11-18H,7-9H2,1H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of (2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol?
(2R,3R,4S)-2-[[[(1R)-2-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol has a molecular weight of 266.34 g/mol, XLogP of -0.34, 6 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-methoxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 11277122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).