[(2S,4S)-4-aminooxan-2-yl]methanol

C6H13NO2 — CID 121305944

IUPAC[(2S,4S)-4-aminooxan-2-yl]methanol
SMILESN[C@H]1CCO[C@H](CO)C1
InChIInChI=1S/C6H13NO2/c7-5-1-2-9-6(3-5)4-8/h5-6,8H,1-4,7H2/t5-,6-/m0/s1
InChIKeyAORHCDNTOFUFGO-WDSKDSINSA-N
MW131.17 g/mol
LogP-0.51
Rot. Bonds1

About [(2S,4S)-4-aminooxan-2-yl]methanol

[(2S,4S)-4-aminooxan-2-yl]methanol (PubChem CID 121305944) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is [(2S,4S)-4-aminooxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-aminooxan-2-yl]methanol
PubChem CID121305944
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name[(2S,4S)-4-aminooxan-2-yl]methanol
SMILESN[C@H]1CCO[C@H](CO)C1
InChIInChI=1S/C6H13NO2/c7-5-1-2-9-6(3-5)4-8/h5-6,8H,1-4,7H2/t5-,6-/m0/s1
InChIKeyAORHCDNTOFUFGO-WDSKDSINSA-N
XLogP-0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride
CID 170902129
2-(aminomethyl)oxan-4-amine
CID 121396437
(2R,4R)-2-ethyloxan-4-amine
CID 82651052
2-(4-aminooxan-2-yl)acetic acid;hydrochloride
CID 154856623
[(2S)-4-cyclopropyloxan-2-yl]methanol
CID 142062147
[(2S,4R)-4-aminooxyoxan-2-yl]methanol
CID 122447871
[(2R,4S)-4-nitrosooxan-2-yl]methanol
CID 129103650
7-(hydroxymethyl)oxepan-4-ol
CID 123972683
hydron;oxolan-2-ylmethanol
CID 174439667
(3R,5S)-5-(hydroxymethyl)oxolan-3-ol
CID 5289103
[(2S)-oxan-2-yl]methanol
CID 6950811
oxolan-2-ylmethanol;hydrochloride
CID 155166529

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-aminooxan-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-aminooxan-2-yl]methanol (CID 121305944) is [(2S,4S)-4-aminooxan-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-aminooxan-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-aminooxan-2-yl]methanol is N[C@H]1CCO[C@H](CO)C1.
What is the InChIKey of [(2S,4S)-4-aminooxan-2-yl]methanol?
The InChIKey is AORHCDNTOFUFGO-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO2/c7-5-1-2-9-6(3-5)4-8/h5-6,8H,1-4,7H2/t5-,6-/m0/s1.
What are the key properties of [(2S,4S)-4-aminooxan-2-yl]methanol?
[(2S,4S)-4-aminooxan-2-yl]methanol has a molecular weight of 131.17 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-aminooxan-2-yl]methanol is sourced from PubChem (CID 121305944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).