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

C10H19NO3 — CID 126846605

IUPAC(3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCC1CCOCC1
InChIInChI=1S/C10H19NO3/c12-10-7-14-6-9(10)11-5-8-1-3-13-4-2-8/h8-12H,1-7H2/t9-,10-/m1/s1
InChIKeyUVNCJNLZBLLTBH-NXEZZACHSA-N
MW201.27 g/mol
LogP-0.24
Rot. Bonds3

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

(3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol (PubChem CID 126846605) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol
PubChem CID126846605
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCC1CCOCC1
InChIInChI=1S/C10H19NO3/c12-10-7-14-6-9(10)11-5-8-1-3-13-4-2-8/h8-12H,1-7H2/t9-,10-/m1/s1
InChIKeyUVNCJNLZBLLTBH-NXEZZACHSA-N
XLogP-0.24
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol
CID 106133383
[2-(oxan-4-ylmethylamino)cyclohexyl]methanol
CID 115685723
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine
CID 130519839
4-(3-cyclopentylpropylamino)oxolan-3-ol
CID 106010570
N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55208858
N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 106662513
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805
(3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol
CID 126846675
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol (CID 126846605) is (3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol is O[C@@H]1COC[C@H]1NCC1CCOCC1.
What is the InChIKey of (3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol?
The InChIKey is UVNCJNLZBLLTBH-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19NO3/c12-10-7-14-6-9(10)11-5-8-1-3-13-4-2-8/h8-12H,1-7H2/t9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol?
(3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol has a molecular weight of 201.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol is sourced from PubChem (CID 126846605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).