(1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid

C8H14N2O2 — CID 101429275

IUPAC(1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H]2CNC[C@@H]1C2
InChIInChI=1S/C8H14N2O2/c9-8(7(11)12)2-5-1-6(8)4-10-3-5/h5-6,10H,1-4,9H2,(H,11,12)/t5-,6-,8-/m0/s1
InChIKeyKLHDTYCJFNEBQZ-HAFWLYHUSA-N
MW170.21 g/mol
LogP-0.60
Rot. Bonds1

About (1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid

(1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid (PubChem CID 101429275) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid.

Molecular Properties

Compound Name(1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid
PubChem CID101429275
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H]2CNC[C@@H]1C2
InChIInChI=1S/C8H14N2O2/c9-8(7(11)12)2-5-1-6(8)4-10-3-5/h5-6,10H,1-4,9H2,(H,11,12)/t5-,6-,8-/m0/s1
InChIKeyKLHDTYCJFNEBQZ-HAFWLYHUSA-N
XLogP-0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide
CID 169432154
(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 98050178
(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889497
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
(3aS,4R,7aR)-4-amino-1,2,3,3a,5,6,7,7a-octahydroisoindole-4-carboxylic acid
CID 124709806
2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid
CID 59948366
(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 118108637
bicyclo[3.1.1]heptane-3,3-dicarboxylic acid
CID 71366048
azane;azetidine-3,3-dicarboxylic acid;platinum
CID 170540067
2-(1-adamantyl)-2-aminoadamantane-1-carboxylic acid
CID 18463305
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
adamantane-1-carboxylic acid;cobalt
CID 174948331

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid?
The IUPAC name of (1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid (CID 101429275) is (1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid.
What is the SMILES notation for (1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid?
The canonical SMILES for (1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid is N[C@@]1(C(=O)O)C[C@H]2CNC[C@@H]1C2.
What is the InChIKey of (1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid?
The InChIKey is KLHDTYCJFNEBQZ-HAFWLYHUSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-8(7(11)12)2-5-1-6(8)4-10-3-5/h5-6,10H,1-4,9H2,(H,11,12)/t5-,6-,8-/m0/s1.
What are the key properties of (1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid?
(1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid is sourced from PubChem (CID 101429275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).