7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid

C14H19N3O2 — CID 143182262

IUPAC7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid
SMILESNc1ccc(N2CCC3(CCN(C(=O)O)C3)C2)cc1
InChIInChI=1S/C14H19N3O2/c15-11-1-3-12(4-2-11)16-7-5-14(9-16)6-8-17(10-14)13(18)19/h1-4H,5-10,15H2,(H,18,19)
InChIKeyLGZBLGAUWSHYSL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.85
Rot. Bonds1

About 7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid

7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid (PubChem CID 143182262) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid
PubChem CID143182262
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid
SMILESNc1ccc(N2CCC3(CCN(C(=O)O)C3)C2)cc1
InChIInChI=1S/C14H19N3O2/c15-11-1-3-12(4-2-11)16-7-5-14(9-16)6-8-17(10-14)13(18)19/h1-4H,5-10,15H2,(H,18,19)
InChIKeyLGZBLGAUWSHYSL-UHFFFAOYSA-N
XLogP1.85
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[7-(4-aminophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 142395454
[1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol
CID 139612456
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933
2-(3-amino-1-methylindazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 174241314
9-(4-amino-3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 135305096
(2R)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylic acid
CID 138707641
8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 66700967
2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone
CID 119805305
[1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol
CID 140572184
4-amino-2-(2-azaspiro[3.3]heptan-2-yl)benzoic acid
CID 79688192
furan-2-yl-[2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3232660
4-[4-[3-[2-(4-aminophenyl)-2,7-diazaspiro[4.4]nonan-7-yl]azetidin-1-yl]phenyl]-5-hydroxyhexanal
CID 177362370

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid?
The IUPAC name of 7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid (CID 143182262) is 7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid.
What is the SMILES notation for 7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid?
The canonical SMILES for 7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid is Nc1ccc(N2CCC3(CCN(C(=O)O)C3)C2)cc1.
What is the InChIKey of 7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid?
The InChIKey is LGZBLGAUWSHYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-11-1-3-12(4-2-11)16-7-5-14(9-16)6-8-17(10-14)13(18)19/h1-4H,5-10,15H2,(H,18,19).
What are the key properties of 7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid?
7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylic acid is sourced from PubChem (CID 143182262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).