(3S,4R)-4-aminooxan-3-ol

C5H11NO2 — CID 54857363

IUPAC(3S,4R)-4-aminooxan-3-ol
SMILESN[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C5H11NO2/c6-4-1-2-8-3-5(4)7/h4-5,7H,1-3,6H2/t4-,5-/m1/s1
InChIKeyPBQHDTRHGNGTLZ-RFZPGFLSSA-N
MW117.15 g/mol
LogP-0.91
Rot. Bonds

About (3S,4R)-4-aminooxan-3-ol

(3S,4R)-4-aminooxan-3-ol (PubChem CID 54857363) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3S,4R)-4-aminooxan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-aminooxan-3-ol
PubChem CID54857363
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3S,4R)-4-aminooxan-3-ol
SMILESN[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C5H11NO2/c6-4-1-2-8-3-5(4)7/h4-5,7H,1-3,6H2/t4-,5-/m1/s1
InChIKeyPBQHDTRHGNGTLZ-RFZPGFLSSA-N
XLogP-0.91
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-aminooxan-3-ol?
The IUPAC name of (3S,4R)-4-aminooxan-3-ol (CID 54857363) is (3S,4R)-4-aminooxan-3-ol.
What is the SMILES notation for (3S,4R)-4-aminooxan-3-ol?
The canonical SMILES for (3S,4R)-4-aminooxan-3-ol is N[C@@H]1CCOC[C@H]1O.
What is the InChIKey of (3S,4R)-4-aminooxan-3-ol?
The InChIKey is PBQHDTRHGNGTLZ-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H11NO2/c6-4-1-2-8-3-5(4)7/h4-5,7H,1-3,6H2/t4-,5-/m1/s1.
What are the key properties of (3S,4R)-4-aminooxan-3-ol?
(3S,4R)-4-aminooxan-3-ol has a molecular weight of 117.15 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-aminooxan-3-ol is sourced from PubChem (CID 54857363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).