1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol

C8H17NO2 — CID 131080750

IUPAC1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)[C@@H]1C[C@H](N)CO1
InChIInChI=1S/C8H17NO2/c1-5(2)8(10)7-3-6(9)4-11-7/h5-8,10H,3-4,9H2,1-2H3/t6-,7-,8?/m0/s1
InChIKeyIUIYGXOSFDUPMR-WPZUCAASSA-N
MW159.23 g/mol
LogP0.12
Rot. Bonds2

About 1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol

1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol (PubChem CID 131080750) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol
PubChem CID131080750
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)[C@@H]1C[C@H](N)CO1
InChIInChI=1S/C8H17NO2/c1-5(2)8(10)7-3-6(9)4-11-7/h5-8,10H,3-4,9H2,1-2H3/t6-,7-,8?/m0/s1
InChIKeyIUIYGXOSFDUPMR-WPZUCAASSA-N
XLogP0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol (CID 131080750) is 1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol is CC(C)C(O)[C@@H]1C[C@H](N)CO1.
What is the InChIKey of 1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol?
The InChIKey is IUIYGXOSFDUPMR-WPZUCAASSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)8(10)7-3-6(9)4-11-7/h5-8,10H,3-4,9H2,1-2H3/t6-,7-,8?/m0/s1.
What are the key properties of 1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol?
1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol has a molecular weight of 159.23 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 1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 131080750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).