(2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol

C8H17NO3 — CID 104550430

IUPAC(2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol
SMILESCOC1(OC)CN([C@H](C)CO)C1
InChIInChI=1S/C8H17NO3/c1-7(4-10)9-5-8(6-9,11-2)12-3/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyLJXJFDJHPBUGKM-SSDOTTSWSA-N
MW175.23 g/mol
LogP-0.33
Rot. Bonds4

About (2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol

(2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol (PubChem CID 104550430) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol
PubChem CID104550430
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol
SMILESCOC1(OC)CN([C@H](C)CO)C1
InChIInChI=1S/C8H17NO3/c1-7(4-10)9-5-8(6-9,11-2)12-3/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyLJXJFDJHPBUGKM-SSDOTTSWSA-N
XLogP-0.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol?
The IUPAC name of (2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol (CID 104550430) is (2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol?
The canonical SMILES for (2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol is COC1(OC)CN([C@H](C)CO)C1.
What is the InChIKey of (2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol?
The InChIKey is LJXJFDJHPBUGKM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(4-10)9-5-8(6-9,11-2)12-3/h7,10H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol?
(2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol has a molecular weight of 175.23 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol is sourced from PubChem (CID 104550430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).