3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid

C8H13N3O3 — CID 22386691

IUPAC3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C1CC2(CCN(C(=O)O)CC2)NN1
InChIInChI=1S/C8H13N3O3/c12-6-5-8(10-9-6)1-3-11(4-2-8)7(13)14/h10H,1-5H2,(H,9,12)(H,13,14)
InChIKeyMLUPWZNYRXJPMV-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.48
Rot. Bonds

About 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid

3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 22386691) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid
PubChem CID22386691
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C1CC2(CCN(C(=O)O)CC2)NN1
InChIInChI=1S/C8H13N3O3/c12-6-5-8(10-9-6)1-3-11(4-2-8)7(13)14/h10H,1-5H2,(H,9,12)(H,13,14)
InChIKeyMLUPWZNYRXJPMV-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
CID 57426043
2,8-Dimethyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 10442369
2-Ethyl-8-methyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 15231631
3-(Hydrazinecarbonyl)piperidine-1-carboxylic acid
CID 66651055
(3S)-1-tert-butyl-3-(2-hydrazinyl-2-oxoethyl)pyrrolidin-1-ium-1-carboxylic acid
CID 67354977
(1S,5R)-6-(hydrazinecarbonyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 67971638
(3S)-3-(hydrazinecarbonyl)piperidine-1-carboxylic acid
CID 68651500
Tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
CID 71145324
8-Methyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 90821646
3-Oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid
CID 118385500
Tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate
CID 118385505
Tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
CID 122539474

Frequently Asked Questions

What is the IUPAC name of 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid (CID 22386691) is 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid is O=C1CC2(CCN(C(=O)O)CC2)NN1.
What is the InChIKey of 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is MLUPWZNYRXJPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c12-6-5-8(10-9-6)1-3-11(4-2-8)7(13)14/h10H,1-5H2,(H,9,12)(H,13,14).
What are the key properties of 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid?
3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of -0.48, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 22386691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).