(2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol

C13H23NO4 — CID 44585251

IUPAC(2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CN[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H23NO4/c15-6-11-13(17)12(16)10(18-11)5-14-9-4-7-1-2-8(9)3-7/h7-17H,1-6H2/t7-,8-,9-,10-,11-,12-,13-/m1/s1
InChIKeyAIBZRMYQKMMGMS-VALWXPLLSA-N
MW257.33 g/mol
LogP-0.75
Rot. Bonds4

About (2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 44585251) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID44585251
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CN[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H23NO4/c15-6-11-13(17)12(16)10(18-11)5-14-9-4-7-1-2-8(9)3-7/h7-17H,1-6H2/t7-,8-,9-,10-,11-,12-,13-/m1/s1
InChIKeyAIBZRMYQKMMGMS-VALWXPLLSA-N
XLogP-0.75
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2R,3R,4S,5R)-2-[6-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 71454442
N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 115886354
6-(2-bicyclo[2.2.1]heptanylamino)hexan-1-ol
CID 115906734
(2R,3R,4S,5R)-2-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-pyrazol-1-ylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11957097
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
(3R,4R,5R,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91077336
(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 13472020

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 44585251) is (2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@H](CN[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is AIBZRMYQKMMGMS-VALWXPLLSA-N. The full InChI is InChI=1S/C13H23NO4/c15-6-11-13(17)12(16)10(18-11)5-14-9-4-7-1-2-8(9)3-7/h7-17H,1-6H2/t7-,8-,9-,10-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 257.33 g/mol, XLogP of -0.75, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 44585251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).