(1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol

C7H13NO4 — CID 130940266

IUPAC(1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol
SMILESNC[C@H]1O[C@H]2OCC[C@]1(O)[C@H]2O
InChIInChI=1S/C7H13NO4/c8-3-4-7(10)1-2-11-6(12-4)5(7)9/h4-6,9-10H,1-3,8H2/t4-,5+,6-,7-/m1/s1
InChIKeyHFFJKBVJZAJGAT-XZBKPIIZSA-N
MW175.18 g/mol
LogP-1.82
Rot. Bonds1

About (1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol

(1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol (PubChem CID 130940266) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol.

Molecular Properties

Compound Name(1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol
PubChem CID130940266
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol
SMILESNC[C@H]1O[C@H]2OCC[C@]1(O)[C@H]2O
InChIInChI=1S/C7H13NO4/c8-3-4-7(10)1-2-11-6(12-4)5(7)9/h4-6,9-10H,1-3,8H2/t4-,5+,6-,7-/m1/s1
InChIKeyHFFJKBVJZAJGAT-XZBKPIIZSA-N
XLogP-1.82
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-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,4R,5S,8S)-6-(hydroxymethyl)-2,7-dioxabicyclo[3.2.1]octane-4,5,8-triol
CID 131201440
(1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol
CID 53243554
(1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol
CID 23244894
(1R,5S,6R,7R,8R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol
CID 11030922
2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid
CID 134169460
(3R,4R)-2,4-dimethyloxane-3,4-diol
CID 89038493
(3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol
CID 25208490
CID 174001396
CID 174001396
4-(1-aminopropan-2-yl)-2-methyloxan-4-ol
CID 79126205
3-[(2-amino-4,5-difluoroanilino)methyl]-2-methyloxolan-3-ol
CID 112751875
(3aR,7aR)-4-ethoxy-3a-hydroxy-2,3,4,5,7,7a-hexahydro-1-benzofuran-6-one
CID 154790830
(4R)-3,9-dioxaspiro[5.5]undecan-4-ol
CID 129389341

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol?
The IUPAC name of (1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol (CID 130940266) is (1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol.
What is the SMILES notation for (1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol?
The canonical SMILES for (1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol is NC[C@H]1O[C@H]2OCC[C@]1(O)[C@H]2O.
What is the InChIKey of (1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol?
The InChIKey is HFFJKBVJZAJGAT-XZBKPIIZSA-N. The full InChI is InChI=1S/C7H13NO4/c8-3-4-7(10)1-2-11-6(12-4)5(7)9/h4-6,9-10H,1-3,8H2/t4-,5+,6-,7-/m1/s1.
What are the key properties of (1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol?
(1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol has a molecular weight of 175.18 g/mol, XLogP of -1.82, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol is sourced from PubChem (CID 130940266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).