[(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol

C8H17NO3 — CID 163533140

IUPAC[(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol
SMILESNCCOC1CCC[C@@H](CO)O1
InChIInChI=1S/C8H17NO3/c9-4-5-11-8-3-1-2-7(6-10)12-8/h7-8,10H,1-6,9H2/t7-,8?/m0/s1
InChIKeyDUROOXGJJHUIKM-JAMMHHFISA-N
MW175.23 g/mol
LogP-0.15
Rot. Bonds4

About [(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol

[(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol (PubChem CID 163533140) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is [(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol
PubChem CID163533140
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name[(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol
SMILESNCCOC1CCC[C@@H](CO)O1
InChIInChI=1S/C8H17NO3/c9-4-5-11-8-3-1-2-7(6-10)12-8/h7-8,10H,1-6,9H2/t7-,8?/m0/s1
InChIKeyDUROOXGJJHUIKM-JAMMHHFISA-N
XLogP-0.15
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol?
The IUPAC name of [(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol (CID 163533140) is [(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol?
The canonical SMILES for [(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol is NCCOC1CCC[C@@H](CO)O1.
What is the InChIKey of [(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol?
The InChIKey is DUROOXGJJHUIKM-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17NO3/c9-4-5-11-8-3-1-2-7(6-10)12-8/h7-8,10H,1-6,9H2/t7-,8?/m0/s1.
What are the key properties of [(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol?
[(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol has a molecular weight of 175.23 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-(2-aminoethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 163533140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).