2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid

C15H19BrN2O2 — CID 84612005

IUPAC2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid
SMILESO=C(O)CN1CC2(CCN(c3cccc(Br)c3)CC2)C1
InChIInChI=1S/C15H19BrN2O2/c16-12-2-1-3-13(8-12)18-6-4-15(5-7-18)10-17(11-15)9-14(19)20/h1-3,8H,4-7,9-11H2,(H,19,20)
InChIKeyFJBSWNYSWRIORU-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.44
Rot. Bonds3

About 2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid

2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid (PubChem CID 84612005) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid
PubChem CID84612005
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid
SMILESO=C(O)CN1CC2(CCN(c3cccc(Br)c3)CC2)C1
InChIInChI=1S/C15H19BrN2O2/c16-12-2-1-3-13(8-12)18-6-4-15(5-7-18)10-17(11-15)9-14(19)20/h1-3,8H,4-7,9-11H2,(H,19,20)
InChIKeyFJBSWNYSWRIORU-UHFFFAOYSA-N
XLogP2.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-bromophenyl)-3-methylpiperidin-3-yl]acetic acid
CID 117013353
[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012425
1-(3-bromophenyl)pyrrolidine
CID 7016459
[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 170459085
2-[4-[(3-bromophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 62825223
2-[1-(3-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017376
1-(3-bromophenyl)-4,4-dimethylpiperidin-3-one
CID 117025219
prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate
CID 170459088
2-(5-azaspiro[2.3]hexan-5-yl)-4-bromobenzoic acid
CID 79695253
2-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824100
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 113079434
tert-butyl 6-(3-bromophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 170087679

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid?
The IUPAC name of 2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid (CID 84612005) is 2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid.
What is the SMILES notation for 2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid?
The canonical SMILES for 2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid is O=C(O)CN1CC2(CCN(c3cccc(Br)c3)CC2)C1.
What is the InChIKey of 2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid?
The InChIKey is FJBSWNYSWRIORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-12-2-1-3-13(8-12)18-6-4-15(5-7-18)10-17(11-15)9-14(19)20/h1-3,8H,4-7,9-11H2,(H,19,20).
What are the key properties of 2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid?
2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid has a molecular weight of 339.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid is sourced from PubChem (CID 84612005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).