2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid

C16H20BrNO2 — CID 63535654

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid
SMILESO=C(O)c1ccc(Br)cc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H20BrNO2/c17-12-3-4-13(15(19)20)14(11-12)18-9-7-16(8-10-18)5-1-2-6-16/h3-4,11H,1-2,5-10H2,(H,19,20)
InChIKeyKCHBPBMTQJGLON-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.31
Rot. Bonds2

About 2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid

2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid (PubChem CID 63535654) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid
PubChem CID63535654
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid
SMILESO=C(O)c1ccc(Br)cc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H20BrNO2/c17-12-3-4-13(15(19)20)14(11-12)18-9-7-16(8-10-18)5-1-2-6-16/h3-4,11H,1-2,5-10H2,(H,19,20)
InChIKeyKCHBPBMTQJGLON-UHFFFAOYSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-azaspiro[5.5]undecan-3-yl)-4-bromophenyl]ethanone
CID 82954204
2-(5-azaspiro[2.3]hexan-5-yl)-4-bromobenzoic acid
CID 79695253
2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzenecarboximidamide
CID 114904588
2-(3-azaspiro[5.5]undecan-3-yl)-5-fluorobenzoic acid
CID 63534808
4-bromo-2-(2,2-dimethylpyrrolidin-1-yl)benzoic acid
CID 63219556
3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid
CID 114288647
2-(8-azaspiro[4.5]decan-8-yl)-5-bromobenzenecarboximidamide
CID 114893032
4-bromo-2-(3,6-dihydro-2H-pyridin-1-yl)benzoic acid
CID 114411186
1-[2-(8-azaspiro[4.5]decan-8-yl)-5-bromophenyl]ethanol
CID 82970943
2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid
CID 104500617
1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine
CID 63158654
2-[2-(3-azaspiro[5.5]undecan-3-yl)-4-bromophenyl]ethanamine
CID 63784455

Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid (CID 63535654) is 2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid is O=C(O)c1ccc(Br)cc1N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid?
The InChIKey is KCHBPBMTQJGLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c17-12-3-4-13(15(19)20)14(11-12)18-9-7-16(8-10-18)5-1-2-6-16/h3-4,11H,1-2,5-10H2,(H,19,20).
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid?
2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid has a molecular weight of 338.25 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid is sourced from PubChem (CID 63535654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).