(3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol

C8H16N2O2 — CID 126846706

IUPAC(3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol
SMILESCN(C1CNC1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C8H16N2O2/c1-10(6-2-9-3-6)7-4-12-5-8(7)11/h6-9,11H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyIOHPWLHFEHLCNE-HTQZYQBOSA-N
MW172.23 g/mol
LogP-1.35
Rot. Bonds2

About (3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol

(3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol (PubChem CID 126846706) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol
PubChem CID126846706
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol
SMILESCN(C1CNC1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C8H16N2O2/c1-10(6-2-9-3-6)7-4-12-5-8(7)11/h6-9,11H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyIOHPWLHFEHLCNE-HTQZYQBOSA-N
XLogP-1.35
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol (CID 126846706) is (3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol is CN(C1CNC1)[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol?
The InChIKey is IOHPWLHFEHLCNE-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(6-2-9-3-6)7-4-12-5-8(7)11/h6-9,11H,2-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol?
(3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol has a molecular weight of 172.23 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[azetidin-3-yl(methyl)amino]oxolan-3-ol is sourced from PubChem (CID 126846706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).