2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid

C8H12N2O4 — CID 154311933

IUPAC2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
SMILESO=C(O)N1CCC2(C1)CN(C(=O)O)C2
InChIInChI=1S/C8H12N2O4/c11-6(12)9-2-1-8(3-9)4-10(5-8)7(13)14/h1-5H2,(H,11,12)(H,13,14)
InChIKeyNQHIOLPTAVFJKB-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.35
Rot. Bonds

About 2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid

2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid (PubChem CID 154311933) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid.

Molecular Properties

Compound Name2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
PubChem CID154311933
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
SMILESO=C(O)N1CCC2(C1)CN(C(=O)O)C2
InChIInChI=1S/C8H12N2O4/c11-6(12)9-2-1-8(3-9)4-10(5-8)7(13)14/h1-5H2,(H,11,12)(H,13,14)
InChIKeyNQHIOLPTAVFJKB-UHFFFAOYSA-N
XLogP0.35
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid?
The IUPAC name of 2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid (CID 154311933) is 2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid.
What is the SMILES notation for 2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid?
The canonical SMILES for 2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid is O=C(O)N1CCC2(C1)CN(C(=O)O)C2.
What is the InChIKey of 2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid?
The InChIKey is NQHIOLPTAVFJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-6(12)9-2-1-8(3-9)4-10(5-8)7(13)14/h1-5H2,(H,11,12)(H,13,14).
What are the key properties of 2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid?
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid has a molecular weight of 200.19 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid is sourced from PubChem (CID 154311933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).