(3S,4S)-4-ethoxy-N-methyloxolan-3-amine

C7H15NO2 — CID 118458673

IUPAC(3S,4S)-4-ethoxy-N-methyloxolan-3-amine
SMILESCCO[C@@H]1COC[C@@H]1NC
InChIInChI=1S/C7H15NO2/c1-3-10-7-5-9-4-6(7)8-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyXAVQRIYMNRSOLR-NKWVEPMBSA-N
MW145.20 g/mol
LogP0.01
Rot. Bonds3

About (3S,4S)-4-ethoxy-N-methyloxolan-3-amine

(3S,4S)-4-ethoxy-N-methyloxolan-3-amine (PubChem CID 118458673) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (3S,4S)-4-ethoxy-N-methyloxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-ethoxy-N-methyloxolan-3-amine
PubChem CID118458673
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(3S,4S)-4-ethoxy-N-methyloxolan-3-amine
SMILESCCO[C@@H]1COC[C@@H]1NC
InChIInChI=1S/C7H15NO2/c1-3-10-7-5-9-4-6(7)8-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyXAVQRIYMNRSOLR-NKWVEPMBSA-N
XLogP0.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethoxy-N-methyloxolan-3-amine?
The IUPAC name of (3S,4S)-4-ethoxy-N-methyloxolan-3-amine (CID 118458673) is (3S,4S)-4-ethoxy-N-methyloxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-ethoxy-N-methyloxolan-3-amine?
The canonical SMILES for (3S,4S)-4-ethoxy-N-methyloxolan-3-amine is CCO[C@@H]1COC[C@@H]1NC.
What is the InChIKey of (3S,4S)-4-ethoxy-N-methyloxolan-3-amine?
The InChIKey is XAVQRIYMNRSOLR-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-10-7-5-9-4-6(7)8-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3S,4S)-4-ethoxy-N-methyloxolan-3-amine?
(3S,4S)-4-ethoxy-N-methyloxolan-3-amine has a molecular weight of 145.20 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethoxy-N-methyloxolan-3-amine is sourced from PubChem (CID 118458673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).