(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol

C10H14N2O2 — CID 93384643

IUPAC(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1ccncc1
InChIInChI=1S/C10H14N2O2/c13-10-7-14-6-9(10)12-5-8-1-3-11-4-2-8/h1-4,9-10,12-13H,5-7H2/t9-,10-/m1/s1
InChIKeyDKSHUCDODMXORK-NXEZZACHSA-N
MW194.23 g/mol
LogP-0.07
Rot. Bonds3

About (3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol

(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol (PubChem CID 93384643) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
PubChem CID93384643
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1ccncc1
InChIInChI=1S/C10H14N2O2/c13-10-7-14-6-9(10)12-5-8-1-3-11-4-2-8/h1-4,9-10,12-13H,5-7H2/t9-,10-/m1/s1
InChIKeyDKSHUCDODMXORK-NXEZZACHSA-N
XLogP-0.07
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
CID 93384215
(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol
CID 86315428
2-(pyridin-4-ylmethylamino)cyclobutan-1-ol
CID 126856533
4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919708
4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol
CID 107230514
(3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol
CID 130680255
N-(pyridin-4-ylmethyl)oxolan-3-amine
CID 63331890
4-[(2-methoxy-3-pyridinyl)methylamino]oxolan-3-ol
CID 60908729
4-[(2-methyltriazol-4-yl)methylamino]oxolan-3-ol
CID 130758123
(3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol
CID 130703539
(3S,4R)-4-[(5-methylfuran-2-yl)methylamino]oxolan-3-ol
CID 94466425
(3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine
CID 138712790

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol (CID 93384643) is (3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol is O[C@@H]1COC[C@H]1NCc1ccncc1.
What is the InChIKey of (3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol?
The InChIKey is DKSHUCDODMXORK-NXEZZACHSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10-7-14-6-9(10)12-5-8-1-3-11-4-2-8/h1-4,9-10,12-13H,5-7H2/t9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol?
(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol has a molecular weight of 194.23 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol is sourced from PubChem (CID 93384643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).