(1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride

C5H11ClN2O2 — CID 139022492

IUPAC(1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride
SMILESCl.O[C@@H]1[C@H](O)[C@@H]2C[C@H]1NN2
InChIInChI=1S/C5H10N2O2.ClH/c8-4-2-1-3(5(4)9)7-6-2;/h2-9H,1H2;1H/t2-,3+,4+,5-;
InChIKeyARGFTARHSCPQFR-YNURBZMNSA-N
MW166.61 g/mol
LogP-1.62
Rot. Bonds

About (1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride

(1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride (PubChem CID 139022492) has the molecular formula C5H11ClN2O2 and a molecular weight of 166.61 g/mol. Its IUPAC name is (1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride.

Molecular Properties

Compound Name(1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride
PubChem CID139022492
Molecular FormulaC5H11ClN2O2
Molecular Weight166.61 g/mol
Exact Mass166.05
IUPAC Name(1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride
SMILESCl.O[C@@H]1[C@H](O)[C@@H]2C[C@H]1NN2
InChIInChI=1S/C5H10N2O2.ClH/c8-4-2-1-3(5(4)9)7-6-2;/h2-9H,1H2;1H/t2-,3+,4+,5-;
InChIKeyARGFTARHSCPQFR-YNURBZMNSA-N
XLogP-1.62
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride with MolForge

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Related Compounds

2,5-diazabicyclo[4.1.0]heptane;hydrochloride
CID 166597473
(1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol
CID 11030102
1,3-diazetidin-2-ol
CID 153343203
(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol
CID 101126936
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
piperidine-3,4,5-triol;hydrochloride
CID 73223230
(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
CID 133268513
(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
CID 118998031
4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol
CID 176808725
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
2-oxabicyclo[1.1.1]pentan-4-ol
CID 171036027
bicyclo[2.2.1]heptane-2,5,7-triol
CID 22290058

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride?
The IUPAC name of (1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride (CID 139022492) is (1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride.
What is the SMILES notation for (1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride?
The canonical SMILES for (1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride is Cl.O[C@@H]1[C@H](O)[C@@H]2C[C@H]1NN2.
What is the InChIKey of (1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride?
The InChIKey is ARGFTARHSCPQFR-YNURBZMNSA-N. The full InChI is InChI=1S/C5H10N2O2.ClH/c8-4-2-1-3(5(4)9)7-6-2;/h2-9H,1H2;1H/t2-,3+,4+,5-;.
What are the key properties of (1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride?
(1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride has a molecular weight of 166.61 g/mol, XLogP of -1.62, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,6S)-2,3-diazabicyclo[2.2.1]heptane-5,6-diol;hydrochloride is sourced from PubChem (CID 139022492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).