(4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol

C11H21NO2 — CID 91670728

IUPAC(4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol
SMILESN[C@@H]1CCC[C@]2(CCCCOC2)[C@H]1O
InChIInChI=1S/C11H21NO2/c12-9-4-3-6-11(10(9)13)5-1-2-7-14-8-11/h9-10,13H,1-8,12H2/t9-,10+,11+/m1/s1
InChIKeyIYOWMHFRYWOXKZ-VWYCJHECSA-N
MW199.29 g/mol
LogP1.05
Rot. Bonds

About (4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol

(4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol (PubChem CID 91670728) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol.

Molecular Properties

Compound Name(4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol
PubChem CID91670728
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol
SMILESN[C@@H]1CCC[C@]2(CCCCOC2)[C@H]1O
InChIInChI=1S/C11H21NO2/c12-9-4-3-6-11(10(9)13)5-1-2-7-14-8-11/h9-10,13H,1-8,12H2/t9-,10+,11+/m1/s1
InChIKeyIYOWMHFRYWOXKZ-VWYCJHECSA-N
XLogP1.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol?
The IUPAC name of (4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol (CID 91670728) is (4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol.
What is the SMILES notation for (4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol?
The canonical SMILES for (4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol is N[C@@H]1CCC[C@]2(CCCCOC2)[C@H]1O.
What is the InChIKey of (4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol?
The InChIKey is IYOWMHFRYWOXKZ-VWYCJHECSA-N. The full InChI is InChI=1S/C11H21NO2/c12-9-4-3-6-11(10(9)13)5-1-2-7-14-8-11/h9-10,13H,1-8,12H2/t9-,10+,11+/m1/s1.
What are the key properties of (4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol?
(4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol has a molecular weight of 199.29 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol is sourced from PubChem (CID 91670728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).