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

C16H22N2O2 — CID 104500617

IUPAC2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid
SMILESNc1cc(N2CCC3(CCCC3)CC2)ccc1C(=O)O
InChIInChI=1S/C16H22N2O2/c17-14-11-12(3-4-13(14)15(19)20)18-9-7-16(8-10-18)5-1-2-6-16/h3-4,11H,1-2,5-10,17H2,(H,19,20)
InChIKeyDUMVXTGOIVTVCL-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.13
Rot. Bonds2

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

2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid (PubChem CID 104500617) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid
PubChem CID104500617
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid
SMILESNc1cc(N2CCC3(CCCC3)CC2)ccc1C(=O)O
InChIInChI=1S/C16H22N2O2/c17-14-11-12(3-4-13(14)15(19)20)18-9-7-16(8-10-18)5-1-2-6-16/h3-4,11H,1-2,5-10,17H2,(H,19,20)
InChIKeyDUMVXTGOIVTVCL-UHFFFAOYSA-N
XLogP3.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-azaspiro[5.5]undecan-3-yl)-2-chlorobenzoic acid
CID 63514704
2-amino-4-thiomorpholin-4-ylbenzoic acid
CID 104500038
methyl 2-amino-5-(8-azaspiro[4.5]decan-8-yl)benzoate
CID 63161957
2-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 104500037
2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid
CID 63535654
1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
CID 63158848
2-amino-4-(4-ethoxypiperidin-1-yl)benzoic acid
CID 113419739
2-amino-4-(3-ethylpiperidin-1-yl)benzoic acid
CID 104500277
9-(4-amino-3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 135305096
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 113419808
5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid
CID 79694936
4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide
CID 63356536

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid?
The IUPAC name of 2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid (CID 104500617) is 2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid.
What is the SMILES notation for 2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid?
The canonical SMILES for 2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid is Nc1cc(N2CCC3(CCCC3)CC2)ccc1C(=O)O.
What is the InChIKey of 2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid?
The InChIKey is DUMVXTGOIVTVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-14-11-12(3-4-13(14)15(19)20)18-9-7-16(8-10-18)5-1-2-6-16/h3-4,11H,1-2,5-10,17H2,(H,19,20).
What are the key properties of 2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid?
2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid has a molecular weight of 274.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid is sourced from PubChem (CID 104500617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).