(3S,4R)-4-aminooxan-3-ol;hydrochloride

C5H12ClNO2 — CID 70032206

IUPAC(3S,4R)-4-aminooxan-3-ol;hydrochloride
SMILESCl.N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C5H11NO2.ClH/c6-4-1-2-8-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m1./s1
InChIKeyGZXXMEFWSWRREY-TYSVMGFPSA-N
MW153.61 g/mol
LogP-0.48
Rot. Bonds

About (3S,4R)-4-aminooxan-3-ol;hydrochloride

(3S,4R)-4-aminooxan-3-ol;hydrochloride (PubChem CID 70032206) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (3S,4R)-4-aminooxan-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-aminooxan-3-ol;hydrochloride
PubChem CID70032206
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(3S,4R)-4-aminooxan-3-ol;hydrochloride
SMILESCl.N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C5H11NO2.ClH/c6-4-1-2-8-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m1./s1
InChIKeyGZXXMEFWSWRREY-TYSVMGFPSA-N
XLogP-0.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-aminooxan-3-ol;hydrochloride?
The IUPAC name of (3S,4R)-4-aminooxan-3-ol;hydrochloride (CID 70032206) is (3S,4R)-4-aminooxan-3-ol;hydrochloride.
What is the SMILES notation for (3S,4R)-4-aminooxan-3-ol;hydrochloride?
The canonical SMILES for (3S,4R)-4-aminooxan-3-ol;hydrochloride is Cl.N[C@@H]1CCOC[C@H]1O.
What is the InChIKey of (3S,4R)-4-aminooxan-3-ol;hydrochloride?
The InChIKey is GZXXMEFWSWRREY-TYSVMGFPSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c6-4-1-2-8-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m1./s1.
What are the key properties of (3S,4R)-4-aminooxan-3-ol;hydrochloride?
(3S,4R)-4-aminooxan-3-ol;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-aminooxan-3-ol;hydrochloride is sourced from PubChem (CID 70032206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).