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

C5H11NO2 — CID 54857357

IUPAC(3R,4S)-4-methoxyoxolan-3-amine
SMILESCO[C@@H]1COC[C@H]1N
InChIInChI=1S/C5H11NO2/c1-7-5-3-8-2-4(5)6/h4-5H,2-3,6H2,1H3/t4-,5-/m1/s1
InChIKeyNMZQNYFRBOGYLM-RFZPGFLSSA-N
MW117.15 g/mol
LogP-0.64
Rot. Bonds1

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

(3R,4S)-4-methoxyoxolan-3-amine (PubChem CID 54857357) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3R,4S)-4-methoxyoxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-methoxyoxolan-3-amine
PubChem CID54857357
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3R,4S)-4-methoxyoxolan-3-amine
SMILESCO[C@@H]1COC[C@H]1N
InChIInChI=1S/C5H11NO2/c1-7-5-3-8-2-4(5)6/h4-5H,2-3,6H2,1H3/t4-,5-/m1/s1
InChIKeyNMZQNYFRBOGYLM-RFZPGFLSSA-N
XLogP-0.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methoxyoxolan-3-amine?
The IUPAC name of (3R,4S)-4-methoxyoxolan-3-amine (CID 54857357) is (3R,4S)-4-methoxyoxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-methoxyoxolan-3-amine?
The canonical SMILES for (3R,4S)-4-methoxyoxolan-3-amine is CO[C@@H]1COC[C@H]1N.
What is the InChIKey of (3R,4S)-4-methoxyoxolan-3-amine?
The InChIKey is NMZQNYFRBOGYLM-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H11NO2/c1-7-5-3-8-2-4(5)6/h4-5H,2-3,6H2,1H3/t4-,5-/m1/s1.
What are the key properties of (3R,4S)-4-methoxyoxolan-3-amine?
(3R,4S)-4-methoxyoxolan-3-amine has a molecular weight of 117.15 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methoxyoxolan-3-amine is sourced from PubChem (CID 54857357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).