(1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride

C6H14ClNO2 — CID 70150410

IUPAC(1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride
SMILESCl.N[C@@H]1CCC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO2.ClH/c7-4-2-1-3-5(8)6(4)9;/h4-6,8-9H,1-3,7H2;1H/t4-,5-,6+;/m1./s1
InChIKeyMIDIYKXNTKNGBP-JMWSHJPJSA-N
MW167.64 g/mol
LogP-0.36
Rot. Bonds

About (1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride

(1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride (PubChem CID 70150410) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride
PubChem CID70150410
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride
SMILESCl.N[C@@H]1CCC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO2.ClH/c7-4-2-1-3-5(8)6(4)9;/h4-6,8-9H,1-3,7H2;1H/t4-,5-,6+;/m1./s1
InChIKeyMIDIYKXNTKNGBP-JMWSHJPJSA-N
XLogP-0.36
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride?
The IUPAC name of (1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride (CID 70150410) is (1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride.
What is the SMILES notation for (1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride?
The canonical SMILES for (1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride is Cl.N[C@@H]1CCC[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride?
The InChIKey is MIDIYKXNTKNGBP-JMWSHJPJSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c7-4-2-1-3-5(8)6(4)9;/h4-6,8-9H,1-3,7H2;1H/t4-,5-,6+;/m1./s1.
What are the key properties of (1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride?
(1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-3-aminocyclohexane-1,2-diol;hydrochloride is sourced from PubChem (CID 70150410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).