[(3R,4S)-4-aminooxolan-3-yl]methanol

C5H11NO2 — CID 131463106

IUPAC[(3R,4S)-4-aminooxolan-3-yl]methanol
SMILESN[C@@H]1COC[C@H]1CO
InChIInChI=1S/C5H11NO2/c6-5-3-8-2-4(5)1-7/h4-5,7H,1-3,6H2/t4-,5-/m1/s1
InChIKeyUEOVIIQBMQIOGG-RFZPGFLSSA-N
MW117.15 g/mol
LogP-1.05
Rot. Bonds1

About [(3R,4S)-4-aminooxolan-3-yl]methanol

[(3R,4S)-4-aminooxolan-3-yl]methanol (PubChem CID 131463106) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is [(3R,4S)-4-aminooxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-aminooxolan-3-yl]methanol
PubChem CID131463106
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name[(3R,4S)-4-aminooxolan-3-yl]methanol
SMILESN[C@@H]1COC[C@H]1CO
InChIInChI=1S/C5H11NO2/c6-5-3-8-2-4(5)1-7/h4-5,7H,1-3,6H2/t4-,5-/m1/s1
InChIKeyUEOVIIQBMQIOGG-RFZPGFLSSA-N
XLogP-1.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-(hydroxymethyl)oxepane-4,5-diol
CID 146664053
(4-methyloxolan-3-yl)methanol
CID 53402099
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
(3R,4R)-oxolane-3,4-diamine;hydrochloride
CID 89488201
(3S,4R)-4-prop-2-enyloxolan-3-amine
CID 124660513
(3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol
CID 7784271
4-[(dimethylamino)methyl]oxolan-3-amine
CID 66237318
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
CID 154842546
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
[(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
CID 131057194
[(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid
CID 122437100
4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine
CID 66238333

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-aminooxolan-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-aminooxolan-3-yl]methanol (CID 131463106) is [(3R,4S)-4-aminooxolan-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-aminooxolan-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-aminooxolan-3-yl]methanol is N[C@@H]1COC[C@H]1CO.
What is the InChIKey of [(3R,4S)-4-aminooxolan-3-yl]methanol?
The InChIKey is UEOVIIQBMQIOGG-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H11NO2/c6-5-3-8-2-4(5)1-7/h4-5,7H,1-3,6H2/t4-,5-/m1/s1.
What are the key properties of [(3R,4S)-4-aminooxolan-3-yl]methanol?
[(3R,4S)-4-aminooxolan-3-yl]methanol has a molecular weight of 117.15 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-aminooxolan-3-yl]methanol is sourced from PubChem (CID 131463106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).