3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol

C6H11NO4 — CID 4867520

IUPAC3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
SMILESNC1C(O)C2COC(O2)C1O
InChIInChI=1S/C6H11NO4/c7-3-4(8)2-1-10-6(11-2)5(3)9/h2-6,8-9H,1,7H2
InChIKeyPWSKXRKZLJHEKE-UHFFFAOYSA-N
MW161.16 g/mol
LogP-2.21
Rot. Bonds

About 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol

3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol (PubChem CID 4867520) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol.

Molecular Properties

Compound Name3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
PubChem CID4867520
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
SMILESNC1C(O)C2COC(O2)C1O
InChIInChI=1S/C6H11NO4/c7-3-4(8)2-1-10-6(11-2)5(3)9/h2-6,8-9H,1,7H2
InChIKeyPWSKXRKZLJHEKE-UHFFFAOYSA-N
XLogP-2.21
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 67699212
(1R,2S,3R,4S,5R)-4-amino-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 131124130
(1R,4R,5S,6R,7R,8R,11R,12S,13R,14R,15R,18R,19S,20R,21R,22R,25R,26S,27R,28R,29R,32R,33S,34R,35R,36R,39R,40S,41R,42R)-7,14,21,28,35,42-hexaamino-2,9,16,23,30,37,43,44,45,46,47,48-dodecaoxaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetracontane-5,6,12,13,19,20,26,27,33,34,40,41-dodecol
CID 46242229
(1R,2R,4R,5R,6S)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 98289950
(1R,2R,4S,5R,6R)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 13145602
(2R)-2-[[(1R,2S,3R,4R,5R)-4-amino-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid
CID 122222954
(1R,2S,3R,4S,5R)-4-iodo-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 126969579
(1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 130847537
(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 131176478
(1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25338247
(1S,2S,4R,5S,6R)-7,9-dioxa-3-azatricyclo[4.2.1.02,4]nonan-5-ol
CID 55284858
(1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25314319

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The IUPAC name of 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol (CID 4867520) is 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol.
What is the SMILES notation for 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The canonical SMILES for 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol is NC1C(O)C2COC(O2)C1O.
What is the InChIKey of 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The InChIKey is PWSKXRKZLJHEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c7-3-4(8)2-1-10-6(11-2)5(3)9/h2-6,8-9H,1,7H2.
What are the key properties of 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol has a molecular weight of 161.16 g/mol, XLogP of -2.21, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol is sourced from PubChem (CID 4867520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).