3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid

C12H12N2O3 — CID 105490516

IUPAC3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CC3(CC3)NC2=O)c1
InChIInChI=1S/C12H12N2O3/c15-10(16)8-2-1-3-9(6-8)14-7-12(4-5-12)13-11(14)17/h1-3,6H,4-5,7H2,(H,13,17)(H,15,16)
InChIKeyGVCBAIJNPRXGPG-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.45
Rot. Bonds2

About 3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid

3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid (PubChem CID 105490516) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid
PubChem CID105490516
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CC3(CC3)NC2=O)c1
InChIInChI=1S/C12H12N2O3/c15-10(16)8-2-1-3-9(6-8)14-7-12(4-5-12)13-11(14)17/h1-3,6H,4-5,7H2,(H,13,17)(H,15,16)
InChIKeyGVCBAIJNPRXGPG-UHFFFAOYSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)benzamide
CID 170237616
7-(3-aminophenyl)-5,7-diazaspiro[3.4]octan-6-one
CID 105471206
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
6-(3-aminophenyl)-4,6-diazaspiro[2.5]octan-5-one
CID 105471201
3-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzoic acid
CID 84795285
3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10379815
3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10064450
1-(3-carboxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82367415
8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201120
3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid
CID 105494157
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)benzoic acid
CID 61069830

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid?
The IUPAC name of 3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid (CID 105490516) is 3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid.
What is the SMILES notation for 3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid?
The canonical SMILES for 3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid is O=C(O)c1cccc(N2CC3(CC3)NC2=O)c1.
What is the InChIKey of 3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid?
The InChIKey is GVCBAIJNPRXGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-10(16)8-2-1-3-9(6-8)14-7-12(4-5-12)13-11(14)17/h1-3,6H,4-5,7H2,(H,13,17)(H,15,16).
What are the key properties of 3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid?
3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid is sourced from PubChem (CID 105490516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).