2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid

C12H12N2O3 — CID 105490515

IUPAC2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1CC2(CC2)NC1=O
InChIInChI=1S/C12H12N2O3/c15-10(16)8-3-1-2-4-9(8)14-7-12(5-6-12)13-11(14)17/h1-4H,5-7H2,(H,13,17)(H,15,16)
InChIKeyHWEOCDYQXJCHOP-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.45
Rot. Bonds2

About 2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid

2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid (PubChem CID 105490515) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid.

Molecular Properties

Compound Name2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid
PubChem CID105490515
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1CC2(CC2)NC1=O
InChIInChI=1S/C12H12N2O3/c15-10(16)8-3-1-2-4-9(8)14-7-12(5-6-12)13-11(14)17/h1-4H,5-7H2,(H,13,17)(H,15,16)
InChIKeyHWEOCDYQXJCHOP-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

2-(5-oxo-4-oxa-6-azaspiro[2.4]heptan-6-yl)benzoic acid
CID 105492180
3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid
CID 105490516
2-(5-oxo-4,6-diazaspiro[2.4]heptan-4-yl)benzoic acid
CID 105490518
2-(4-methyl-2,3-dioxopiperazin-1-yl)benzoic acid
CID 117372986
2-(3-bromo-2-oxopyrrolidin-1-yl)benzoic acid
CID 21076113
2-(2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzoic acid
CID 84795286
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid
CID 63778034
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid
CID 156757627
3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid
CID 115934088

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid?
The IUPAC name of 2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid (CID 105490515) is 2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid.
What is the SMILES notation for 2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid?
The canonical SMILES for 2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid is O=C(O)c1ccccc1N1CC2(CC2)NC1=O.
What is the InChIKey of 2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid?
The InChIKey is HWEOCDYQXJCHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-10(16)8-3-1-2-4-9(8)14-7-12(5-6-12)13-11(14)17/h1-4H,5-7H2,(H,13,17)(H,15,16).
What are the key properties of 2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid?
2-(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 2-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid is sourced from PubChem (CID 105490515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).