(1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol

C6H12N2O2 — CID 169042103

IUPAC(1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol
SMILESNN1C2CC[C@@H]1C(O)[C@@H]2O
InChIInChI=1S/C6H12N2O2/c7-8-3-1-2-4(8)6(10)5(3)9/h3-6,9-10H,1-2,7H2/t3-,4?,5?,6-/m1/s1
InChIKeyUSUGFZACUQIOAP-YLZRJQLMSA-N
MW144.17 g/mol
LogP-1.57
Rot. Bonds

About (1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol

(1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol (PubChem CID 169042103) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol.

Molecular Properties

Compound Name(1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol
PubChem CID169042103
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol
SMILESNN1C2CC[C@@H]1C(O)[C@@H]2O
InChIInChI=1S/C6H12N2O2/c7-8-3-1-2-4(8)6(10)5(3)9/h3-6,9-10H,1-2,7H2/t3-,4?,5?,6-/m1/s1
InChIKeyUSUGFZACUQIOAP-YLZRJQLMSA-N
XLogP-1.57
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

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1-aminoazepane-3,6-diol
CID 144890831
(3S,4R,5R,6R)-1-azabicyclo[4.2.0]octane-3,4,5-triol
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CID 10703323
(1S,2R,3S,5R,8R)-3-(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 102084856
(1R,2S,3R,5S,8S)-3-(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 101446174
(1S,2R,3R,5R,8R)-3-(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 11127013
(1R,2R,5R)-2-amino-5-morpholin-4-ylcyclopentan-1-ol
CID 110128732
(1R,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 6102588
cis-(4S,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 25245099
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CID 98290063

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol?
The IUPAC name of (1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol (CID 169042103) is (1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol.
What is the SMILES notation for (1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol?
The canonical SMILES for (1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol is NN1C2CC[C@@H]1C(O)[C@@H]2O.
What is the InChIKey of (1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol?
The InChIKey is USUGFZACUQIOAP-YLZRJQLMSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-8-3-1-2-4(8)6(10)5(3)9/h3-6,9-10H,1-2,7H2/t3-,4?,5?,6-/m1/s1.
What are the key properties of (1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol?
(1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol has a molecular weight of 144.17 g/mol, XLogP of -1.57, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-7-amino-7-azabicyclo[2.2.1]heptane-2,3-diol is sourced from PubChem (CID 169042103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).