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

C6H13NO2 — CID 54857356

IUPAC(3S,4R)-3-methoxyoxan-4-amine
SMILESCO[C@@H]1COCC[C@H]1N
InChIInChI=1S/C6H13NO2/c1-8-6-4-9-3-2-5(6)7/h5-6H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyOHVYRLNUMZHWIK-PHDIDXHHSA-N
MW131.18 g/mol
LogP-0.25
Rot. Bonds1

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

(3S,4R)-3-methoxyoxan-4-amine (PubChem CID 54857356) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3S,4R)-3-methoxyoxan-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methoxyoxan-4-amine
PubChem CID54857356
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3S,4R)-3-methoxyoxan-4-amine
SMILESCO[C@@H]1COCC[C@H]1N
InChIInChI=1S/C6H13NO2/c1-8-6-4-9-3-2-5(6)7/h5-6H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyOHVYRLNUMZHWIK-PHDIDXHHSA-N
XLogP-0.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.25
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?
The IUPAC name of (3S,4R)-3-methoxyoxan-4-amine (CID 54857356) is (3S,4R)-3-methoxyoxan-4-amine.
What is the SMILES notation for (3S,4R)-3-methoxyoxan-4-amine?
The canonical SMILES for (3S,4R)-3-methoxyoxan-4-amine is CO[C@@H]1COCC[C@H]1N.
What is the InChIKey of (3S,4R)-3-methoxyoxan-4-amine?
The InChIKey is OHVYRLNUMZHWIK-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13NO2/c1-8-6-4-9-3-2-5(6)7/h5-6H,2-4,7H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3S,4R)-3-methoxyoxan-4-amine?
(3S,4R)-3-methoxyoxan-4-amine has a molecular weight of 131.18 g/mol, XLogP of -0.25, 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 is sourced from PubChem (CID 54857356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).