(3S,4R)-4-(dimethylamino)oxolan-3-ol

C6H13NO2 — CID 34175823

IUPAC(3S,4R)-4-(dimethylamino)oxolan-3-ol
SMILESCN(C)[C@@H]1COC[C@H]1O
InChIInChI=1S/C6H13NO2/c1-7(2)5-3-9-4-6(5)8/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyAGZUJWAKYFHDAV-PHDIDXHHSA-N
MW131.18 g/mol
LogP-0.69
Rot. Bonds1

About (3S,4R)-4-(dimethylamino)oxolan-3-ol

(3S,4R)-4-(dimethylamino)oxolan-3-ol (PubChem CID 34175823) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3S,4R)-4-(dimethylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(dimethylamino)oxolan-3-ol
PubChem CID34175823
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3S,4R)-4-(dimethylamino)oxolan-3-ol
SMILESCN(C)[C@@H]1COC[C@H]1O
InChIInChI=1S/C6H13NO2/c1-7(2)5-3-9-4-6(5)8/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyAGZUJWAKYFHDAV-PHDIDXHHSA-N
XLogP-0.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(dimethylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(dimethylamino)oxolan-3-ol (CID 34175823) is (3S,4R)-4-(dimethylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(dimethylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(dimethylamino)oxolan-3-ol is CN(C)[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-(dimethylamino)oxolan-3-ol?
The InChIKey is AGZUJWAKYFHDAV-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7(2)5-3-9-4-6(5)8/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (3S,4R)-4-(dimethylamino)oxolan-3-ol?
(3S,4R)-4-(dimethylamino)oxolan-3-ol has a molecular weight of 131.18 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(dimethylamino)oxolan-3-ol is sourced from PubChem (CID 34175823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).