2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid

C16H22N2O2 — CID 126573863

IUPAC2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CC(NCc1ccccc1)C2
InChIInChI=1S/C16H22N2O2/c19-15(20)18-8-6-16(7-9-18)10-14(11-16)17-12-13-4-2-1-3-5-13/h1-5,14,17H,6-12H2,(H,19,20)
InChIKeySVJPYCYJNMCNRI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.70
Rot. Bonds3

About 2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid

2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 126573863) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid
PubChem CID126573863
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CC(NCc1ccccc1)C2
InChIInChI=1S/C16H22N2O2/c19-15(20)18-8-6-16(7-9-18)10-14(11-16)17-12-13-4-2-1-3-5-13/h1-5,14,17H,6-12H2,(H,19,20)
InChIKeySVJPYCYJNMCNRI-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(spiro[3.5]nonan-2-ylamino)methyl]benzoic acid
CID 122124229
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
N-benzylspiro[2.5]octan-7-amine
CID 67386163
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412
(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 67928795
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
(3S,4R)-4-(benzylamino)piperidine-1,3-dicarboxylic acid
CID 90844660
benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 142324856
7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 97472653
4-[[(4-hydroxy-4-phenylcyclohexyl)amino]methyl]benzoic acid
CID 122032866
2-(benzylamino)azepane-1-carboxylic acid
CID 69150253

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid (CID 126573863) is 2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid is O=C(O)N1CCC2(CC1)CC(NCc1ccccc1)C2.
What is the InChIKey of 2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is SVJPYCYJNMCNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(20)18-8-6-16(7-9-18)10-14(11-16)17-12-13-4-2-1-3-5-13/h1-5,14,17H,6-12H2,(H,19,20).
What are the key properties of 2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid?
2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-7-azaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 126573863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).