2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid

C11H16N2O6 — CID 91500214

IUPAC2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)O)CC2)CN1C(=O)O
InChIInChI=1S/C11H16N2O6/c14-8(15)7-5-11(6-13(7)10(18)19)1-3-12(4-2-11)9(16)17/h7H,1-6H2,(H,14,15)(H,16,17)(H,18,19)
InChIKeyPKSFMBNBVNXGTM-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.58
Rot. Bonds1

About 2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid

2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid (PubChem CID 91500214) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid
PubChem CID91500214
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)O)CC2)CN1C(=O)O
InChIInChI=1S/C11H16N2O6/c14-8(15)7-5-11(6-13(7)10(18)19)1-3-12(4-2-11)9(16)17/h7H,1-6H2,(H,14,15)(H,16,17)(H,18,19)
InChIKeyPKSFMBNBVNXGTM-UHFFFAOYSA-N
XLogP0.58
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid?
The IUPAC name of 2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid (CID 91500214) is 2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid.
What is the SMILES notation for 2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid?
The canonical SMILES for 2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid is O=C(O)C1CC2(CCN(C(=O)O)CC2)CN1C(=O)O.
What is the InChIKey of 2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid?
The InChIKey is PKSFMBNBVNXGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6/c14-8(15)7-5-11(6-13(7)10(18)19)1-3-12(4-2-11)9(16)17/h7H,1-6H2,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid?
2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid is sourced from PubChem (CID 91500214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).