(3R,4S)-4-methoxy-N-methyloxolan-3-amine

C6H13NO2 — CID 126583015

IUPAC(3R,4S)-4-methoxy-N-methyloxolan-3-amine
SMILESCN[C@@H]1COC[C@H]1OC
InChIInChI=1S/C6H13NO2/c1-7-5-3-9-4-6(5)8-2/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyFKOXETIJIXJZTE-PHDIDXHHSA-N
MW131.18 g/mol
LogP-0.38
Rot. Bonds2

About (3R,4S)-4-methoxy-N-methyloxolan-3-amine

(3R,4S)-4-methoxy-N-methyloxolan-3-amine (PubChem CID 126583015) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3R,4S)-4-methoxy-N-methyloxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-methoxy-N-methyloxolan-3-amine
PubChem CID126583015
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3R,4S)-4-methoxy-N-methyloxolan-3-amine
SMILESCN[C@@H]1COC[C@H]1OC
InChIInChI=1S/C6H13NO2/c1-7-5-3-9-4-6(5)8-2/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyFKOXETIJIXJZTE-PHDIDXHHSA-N
XLogP-0.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methoxy-N-methyloxolan-3-amine?
The IUPAC name of (3R,4S)-4-methoxy-N-methyloxolan-3-amine (CID 126583015) is (3R,4S)-4-methoxy-N-methyloxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-methoxy-N-methyloxolan-3-amine?
The canonical SMILES for (3R,4S)-4-methoxy-N-methyloxolan-3-amine is CN[C@@H]1COC[C@H]1OC.
What is the InChIKey of (3R,4S)-4-methoxy-N-methyloxolan-3-amine?
The InChIKey is FKOXETIJIXJZTE-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-5-3-9-4-6(5)8-2/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (3R,4S)-4-methoxy-N-methyloxolan-3-amine?
(3R,4S)-4-methoxy-N-methyloxolan-3-amine has a molecular weight of 131.18 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methoxy-N-methyloxolan-3-amine is sourced from PubChem (CID 126583015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).