(3S,4R)-3-methoxyoxan-4-amine;hydrochloride

C6H14ClNO2 — CID 122235837

IUPAC(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
SMILESCO[C@@H]1COCC[C@H]1N.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-8-6-4-9-3-2-5(6)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m1./s1
InChIKeyDMWZYPXYPVHLOG-KGZKBUQUSA-N
MW167.64 g/mol
LogP0.17
Rot. Bonds1

About (3S,4R)-3-methoxyoxan-4-amine;hydrochloride

(3S,4R)-3-methoxyoxan-4-amine;hydrochloride (PubChem CID 122235837) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (3S,4R)-3-methoxyoxan-4-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
PubChem CID122235837
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
SMILESCO[C@@H]1COCC[C@H]1N.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-8-6-4-9-3-2-5(6)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m1./s1
InChIKeyDMWZYPXYPVHLOG-KGZKBUQUSA-N
XLogP0.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxyoxan-4-amine;hydrochloride?
The IUPAC name of (3S,4R)-3-methoxyoxan-4-amine;hydrochloride (CID 122235837) is (3S,4R)-3-methoxyoxan-4-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-3-methoxyoxan-4-amine;hydrochloride?
The canonical SMILES for (3S,4R)-3-methoxyoxan-4-amine;hydrochloride is CO[C@@H]1COCC[C@H]1N.Cl.
What is the InChIKey of (3S,4R)-3-methoxyoxan-4-amine;hydrochloride?
The InChIKey is DMWZYPXYPVHLOG-KGZKBUQUSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-8-6-4-9-3-2-5(6)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m1./s1.
What are the key properties of (3S,4R)-3-methoxyoxan-4-amine;hydrochloride?
(3S,4R)-3-methoxyoxan-4-amine;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxyoxan-4-amine;hydrochloride is sourced from PubChem (CID 122235837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).