2-[(2S,5R)-5-aminooxan-2-yl]ethanol

C7H15NO2 — CID 89051551

IUPAC2-[(2S,5R)-5-aminooxan-2-yl]ethanol
SMILESN[C@@H]1CC[C@@H](CCO)OC1
InChIInChI=1S/C7H15NO2/c8-6-1-2-7(3-4-9)10-5-6/h6-7,9H,1-5,8H2/t6-,7+/m1/s1
InChIKeyWZSZIBFPFKNJPR-RQJHMYQMSA-N
MW145.20 g/mol
LogP-0.12
Rot. Bonds2

About 2-[(2S,5R)-5-aminooxan-2-yl]ethanol

2-[(2S,5R)-5-aminooxan-2-yl]ethanol (PubChem CID 89051551) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-[(2S,5R)-5-aminooxan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,5R)-5-aminooxan-2-yl]ethanol
PubChem CID89051551
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-[(2S,5R)-5-aminooxan-2-yl]ethanol
SMILESN[C@@H]1CC[C@@H](CCO)OC1
InChIInChI=1S/C7H15NO2/c8-6-1-2-7(3-4-9)10-5-6/h6-7,9H,1-5,8H2/t6-,7+/m1/s1
InChIKeyWZSZIBFPFKNJPR-RQJHMYQMSA-N
XLogP-0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-aminooxan-2-yl]ethanol?
The IUPAC name of 2-[(2S,5R)-5-aminooxan-2-yl]ethanol (CID 89051551) is 2-[(2S,5R)-5-aminooxan-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,5R)-5-aminooxan-2-yl]ethanol?
The canonical SMILES for 2-[(2S,5R)-5-aminooxan-2-yl]ethanol is N[C@@H]1CC[C@@H](CCO)OC1.
What is the InChIKey of 2-[(2S,5R)-5-aminooxan-2-yl]ethanol?
The InChIKey is WZSZIBFPFKNJPR-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15NO2/c8-6-1-2-7(3-4-9)10-5-6/h6-7,9H,1-5,8H2/t6-,7+/m1/s1.
What are the key properties of 2-[(2S,5R)-5-aminooxan-2-yl]ethanol?
2-[(2S,5R)-5-aminooxan-2-yl]ethanol has a molecular weight of 145.20 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-aminooxan-2-yl]ethanol is sourced from PubChem (CID 89051551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).