(1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride

C5H12ClNO3 — CID 155819857

IUPAC(1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride
SMILESCl.NO[C@@H]1CC[C@@H](O)[C@H]1O
InChIInChI=1S/C5H11NO3.ClH/c6-9-4-2-1-3(7)5(4)8;/h3-5,7-8H,1-2,6H2;1H/t3-,4-,5-;/m1./s1
InChIKeyFFMBDHVPIWEHIX-DEVUXVJFSA-N
MW169.61 g/mol
LogP-0.82
Rot. Bonds1

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

(1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride (PubChem CID 155819857) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is (1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride
PubChem CID155819857
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Name(1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride
SMILESCl.NO[C@@H]1CC[C@@H](O)[C@H]1O
InChIInChI=1S/C5H11NO3.ClH/c6-9-4-2-1-3(7)5(4)8;/h3-5,7-8H,1-2,6H2;1H/t3-,4-,5-;/m1./s1
InChIKeyFFMBDHVPIWEHIX-DEVUXVJFSA-N
XLogP-0.82
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride?
The IUPAC name of (1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride (CID 155819857) is (1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride.
What is the SMILES notation for (1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride?
The canonical SMILES for (1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride is Cl.NO[C@@H]1CC[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride?
The InChIKey is FFMBDHVPIWEHIX-DEVUXVJFSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c6-9-4-2-1-3(7)5(4)8;/h3-5,7-8H,1-2,6H2;1H/t3-,4-,5-;/m1./s1.
What are the key properties of (1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride?
(1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride is sourced from PubChem (CID 155819857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).