3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid

C8H13N3O3 — CID 68886117

IUPAC3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C1CNC2(CCN(C(=O)O)CC2)N1
InChIInChI=1S/C8H13N3O3/c12-6-5-9-8(10-6)1-3-11(4-2-8)7(13)14/h9H,1-5H2,(H,10,12)(H,13,14)
InChIKeySKTAVNUEZWDFAA-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.82
Rot. Bonds

About 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid

3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 68886117) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid
PubChem CID68886117
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C1CNC2(CCN(C(=O)O)CC2)N1
InChIInChI=1S/C8H13N3O3/c12-6-5-9-8(10-6)1-3-11(4-2-8)7(13)14/h9H,1-5H2,(H,10,12)(H,13,14)
InChIKeySKTAVNUEZWDFAA-UHFFFAOYSA-N
XLogP-0.82
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid (CID 68886117) is 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid is O=C1CNC2(CCN(C(=O)O)CC2)N1.
What is the InChIKey of 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is SKTAVNUEZWDFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c12-6-5-9-8(10-6)1-3-11(4-2-8)7(13)14/h9H,1-5H2,(H,10,12)(H,13,14).
What are the key properties of 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid?
3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of -0.82, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 68886117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).