8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid

C11H17NO4 — CID 57429701

IUPAC8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid
SMILESO=C(O)C1C2CCCCC1CN(C(=O)O)C2
InChIInChI=1S/C11H17NO4/c13-10(14)9-7-3-1-2-4-8(9)6-12(5-7)11(15)16/h7-9H,1-6H2,(H,13,14)(H,15,16)
InChIKeyVISVLLBWLAZURZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.49
Rot. Bonds1

About 8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid

8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid (PubChem CID 57429701) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid.

Molecular Properties

Compound Name8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid
PubChem CID57429701
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid
SMILESO=C(O)C1C2CCCCC1CN(C(=O)O)C2
InChIInChI=1S/C11H17NO4/c13-10(14)9-7-3-1-2-4-8(9)6-12(5-7)11(15)16/h7-9H,1-6H2,(H,13,14)(H,15,16)
InChIKeyVISVLLBWLAZURZ-UHFFFAOYSA-N
XLogP1.49
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
CID 140973095
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CID 97111748
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
bicyclo[3.2.1]octane-8-carboxylic acid
CID 69144548
3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid
CID 134211094
3-azabicyclo[5.1.0]octane-3-carboxylic acid
CID 150365734
3-methylsulfonyl-3-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 137394146
2-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120976907
8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 118977842
8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69144156
(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 134587542
5-cyano-5-cyclopentyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
CID 123822048

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid?
The IUPAC name of 8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid (CID 57429701) is 8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid.
What is the SMILES notation for 8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid?
The canonical SMILES for 8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid is O=C(O)C1C2CCCCC1CN(C(=O)O)C2.
What is the InChIKey of 8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid?
The InChIKey is VISVLLBWLAZURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10(14)9-7-3-1-2-4-8(9)6-12(5-7)11(15)16/h7-9H,1-6H2,(H,13,14)(H,15,16).
What are the key properties of 8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid?
8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid is sourced from PubChem (CID 57429701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).