(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid

C9H16N2O4 — CID 70834767

IUPAC(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
SMILESO=C(O)[C@@H]1CCCN[C@H](C(=O)O)CCN1
InChIInChI=1S/C9H16N2O4/c12-8(13)6-2-1-4-10-7(9(14)15)3-5-11-6/h6-7,10-11H,1-5H2,(H,12,13)(H,14,15)/t6-,7-/m0/s1
InChIKeyCEWGUHWOEARAEH-BQBZGAKWSA-N
MW216.24 g/mol
LogP-0.74
Rot. Bonds2

About (2S,6S)-1,5-diazonane-2,6-dicarboxylic acid

(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid (PubChem CID 70834767) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S,6S)-1,5-diazonane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
PubChem CID70834767
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
SMILESO=C(O)[C@@H]1CCCN[C@H](C(=O)O)CCN1
InChIInChI=1S/C9H16N2O4/c12-8(13)6-2-1-4-10-7(9(14)15)3-5-11-6/h6-7,10-11H,1-5H2,(H,12,13)(H,14,15)/t6-,7-/m0/s1
InChIKeyCEWGUHWOEARAEH-BQBZGAKWSA-N
XLogP-0.74
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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argon;(2S)-pyrrolidine-2-carboxylic acid
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potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
(2R)-pyrrolidine-2-carboxylic acid;zinc
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CID 67110713
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
pyrrolidine-2-carboxylic acid;silver
CID 87701112
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640
CID 145362144
CID 145362144

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-1,5-diazonane-2,6-dicarboxylic acid?
The IUPAC name of (2S,6S)-1,5-diazonane-2,6-dicarboxylic acid (CID 70834767) is (2S,6S)-1,5-diazonane-2,6-dicarboxylic acid.
What is the SMILES notation for (2S,6S)-1,5-diazonane-2,6-dicarboxylic acid?
The canonical SMILES for (2S,6S)-1,5-diazonane-2,6-dicarboxylic acid is O=C(O)[C@@H]1CCCN[C@H](C(=O)O)CCN1.
What is the InChIKey of (2S,6S)-1,5-diazonane-2,6-dicarboxylic acid?
The InChIKey is CEWGUHWOEARAEH-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H16N2O4/c12-8(13)6-2-1-4-10-7(9(14)15)3-5-11-6/h6-7,10-11H,1-5H2,(H,12,13)(H,14,15)/t6-,7-/m0/s1.
What are the key properties of (2S,6S)-1,5-diazonane-2,6-dicarboxylic acid?
(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-1,5-diazonane-2,6-dicarboxylic acid is sourced from PubChem (CID 70834767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).