2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol

C7H15NO2 — CID 99633545

IUPAC2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol
SMILESC[C@@H]1OCC[C@@H]1NCCO
InChIInChI=1S/C7H15NO2/c1-6-7(2-5-10-6)8-3-4-9/h6-9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyQXVIKVHWCDFMML-BQBZGAKWSA-N
MW145.20 g/mol
LogP-0.25
Rot. Bonds3

About 2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol

2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol (PubChem CID 99633545) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol
PubChem CID99633545
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol
SMILESC[C@@H]1OCC[C@@H]1NCCO
InChIInChI=1S/C7H15NO2/c1-6-7(2-5-10-6)8-3-4-9/h6-9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyQXVIKVHWCDFMML-BQBZGAKWSA-N
XLogP-0.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol?
The IUPAC name of 2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol (CID 99633545) is 2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol?
The canonical SMILES for 2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol is C[C@@H]1OCC[C@@H]1NCCO.
What is the InChIKey of 2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol?
The InChIKey is QXVIKVHWCDFMML-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6-7(2-5-10-6)8-3-4-9/h6-9H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of 2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol?
2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol has a molecular weight of 145.20 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol is sourced from PubChem (CID 99633545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).