(3S,5S)-5-(methoxymethyl)oxolan-3-amine

C6H13NO2 — CID 131220331

IUPAC(3S,5S)-5-(methoxymethyl)oxolan-3-amine
SMILESCOC[C@@H]1C[C@H](N)CO1
InChIInChI=1S/C6H13NO2/c1-8-4-6-2-5(7)3-9-6/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyXDUNNKVBOHTIJG-WDSKDSINSA-N
MW131.17 g/mol
LogP-0.25
Rot. Bonds2

About (3S,5S)-5-(methoxymethyl)oxolan-3-amine

(3S,5S)-5-(methoxymethyl)oxolan-3-amine (PubChem CID 131220331) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (3S,5S)-5-(methoxymethyl)oxolan-3-amine.

Molecular Properties

Compound Name(3S,5S)-5-(methoxymethyl)oxolan-3-amine
PubChem CID131220331
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(3S,5S)-5-(methoxymethyl)oxolan-3-amine
SMILESCOC[C@@H]1C[C@H](N)CO1
InChIInChI=1S/C6H13NO2/c1-8-4-6-2-5(7)3-9-6/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyXDUNNKVBOHTIJG-WDSKDSINSA-N
XLogP-0.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(methoxymethyl)oxan-3-amine;hydrochloride
CID 132585345
(3R,6S)-6-(methoxymethyl)oxan-3-amine;hydrochloride
CID 89051604
(2S,4S)-4-ethyl-2-(methoxymethyl)oxolane
CID 146559108
(2S,4R)-2-(methoxymethyl)-4-methyloxolane
CID 146559112
5-ethyloxolan-3-amine
CID 89032290
(3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine
CID 141449393
(6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine
CID 11977040
dimethoxymethane;bis(2-(methoxymethyl)oxirane)
CID 159900039
(2S,5S)-2-(methoxymethyl)-5-methylmorpholine
CID 55300146
(2S,5R)-2-(methoxymethyl)-5-methylmorpholine
CID 155290225
(5R)-2-(methoxymethyl)-5-methylmorpholine;hydrochloride
CID 155291476
diiodovanadium;2-(methoxymethyl)oxirane
CID 158509470

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(methoxymethyl)oxolan-3-amine?
The IUPAC name of (3S,5S)-5-(methoxymethyl)oxolan-3-amine (CID 131220331) is (3S,5S)-5-(methoxymethyl)oxolan-3-amine.
What is the SMILES notation for (3S,5S)-5-(methoxymethyl)oxolan-3-amine?
The canonical SMILES for (3S,5S)-5-(methoxymethyl)oxolan-3-amine is COC[C@@H]1C[C@H](N)CO1.
What is the InChIKey of (3S,5S)-5-(methoxymethyl)oxolan-3-amine?
The InChIKey is XDUNNKVBOHTIJG-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO2/c1-8-4-6-2-5(7)3-9-6/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3S,5S)-5-(methoxymethyl)oxolan-3-amine?
(3S,5S)-5-(methoxymethyl)oxolan-3-amine has a molecular weight of 131.17 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(methoxymethyl)oxolan-3-amine is sourced from PubChem (CID 131220331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).