1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid

C10H16N2O4 — CID 123929838

IUPAC1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid
SMILESO=C(O)C1CN(C(=O)O)C2(CCNCC2)C1
InChIInChI=1S/C10H16N2O4/c13-8(14)7-5-10(1-3-11-4-2-10)12(6-7)9(15)16/h7,11H,1-6H2,(H,13,14)(H,15,16)
InChIKeyHQXYRZWTPSJMJI-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.19
Rot. Bonds1

About 1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid

1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid (PubChem CID 123929838) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid
PubChem CID123929838
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid
SMILESO=C(O)C1CN(C(=O)O)C2(CCNCC2)C1
InChIInChI=1S/C10H16N2O4/c13-8(14)7-5-10(1-3-11-4-2-10)12(6-7)9(15)16/h7,11H,1-6H2,(H,13,14)(H,15,16)
InChIKeyHQXYRZWTPSJMJI-UHFFFAOYSA-N
XLogP0.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid?
The IUPAC name of 1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid (CID 123929838) is 1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid.
What is the SMILES notation for 1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid?
The canonical SMILES for 1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid is O=C(O)C1CN(C(=O)O)C2(CCNCC2)C1.
What is the InChIKey of 1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid?
The InChIKey is HQXYRZWTPSJMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-8(14)7-5-10(1-3-11-4-2-10)12(6-7)9(15)16/h7,11H,1-6H2,(H,13,14)(H,15,16).
What are the key properties of 1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid?
1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazaspiro[4.5]decane-1,3-dicarboxylic acid is sourced from PubChem (CID 123929838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).