(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol

C12H24N2O5 — CID 46199753

IUPAC(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCN1CCOCC1
InChIInChI=1S/C12H24N2O5/c15-7-9-11(17)12(18)10(8-16)14(9)2-1-13-3-5-19-6-4-13/h9-12,15-18H,1-8H2/t9-,10-,11-,12-/m1/s1
InChIKeyXZUDJYTUDVMJBP-DDHJBXDOSA-N
MW276.33 g/mol
LogP-2.92
Rot. Bonds5

About (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol

(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol (PubChem CID 46199753) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol
PubChem CID46199753
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCN1CCOCC1
InChIInChI=1S/C12H24N2O5/c15-7-9-11(17)12(18)10(8-16)14(9)2-1-13-3-5-19-6-4-13/h9-12,15-18H,1-8H2/t9-,10-,11-,12-/m1/s1
InChIKeyXZUDJYTUDVMJBP-DDHJBXDOSA-N
XLogP-2.92
TPSA96.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-2.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyrrolidine-3,4-diol
CID 46199752
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
9-morpholin-4-ylnonan-1-ol
CID 58205558
20-morpholin-4-ylicosan-1-ol
CID 58205553
4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine
CID 80669048
hydroxymethyl 3-morpholin-4-ylpropanoate
CID 166468401
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol
CID 117021954
(2R,3S,4R)-2-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol
CID 45093416
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol
CID 14611743

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol (CID 46199753) is (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol is OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCN1CCOCC1.
What is the InChIKey of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol?
The InChIKey is XZUDJYTUDVMJBP-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H24N2O5/c15-7-9-11(17)12(18)10(8-16)14(9)2-1-13-3-5-19-6-4-13/h9-12,15-18H,1-8H2/t9-,10-,11-,12-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol has a molecular weight of 276.33 g/mol, XLogP of -2.92, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 46199753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).