(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid

C17H23NO2 — CID 15517982

IUPAC(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@]12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C17H23NO2/c19-16(20)15-8-4-9-17(15)10-5-11-18(13-17)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,20)/t15-,17+/m0/s1
InChIKeyUDZNBSZYYCTHQQ-DOTOQJQBSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds3

About (4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid

(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 15517982) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID15517982
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@]12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C17H23NO2/c19-16(20)15-8-4-9-17(15)10-5-11-18(13-17)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,20)/t15-,17+/m0/s1
InChIKeyUDZNBSZYYCTHQQ-DOTOQJQBSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate
CID 135289880
(4S)-1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
CID 124674456
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895982
(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 135110130
2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione
CID 79309828
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid (CID 15517982) is (4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid is O=C(O)[C@@H]1CCC[C@]12CCCN(Cc1ccccc1)C2.
What is the InChIKey of (4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is UDZNBSZYYCTHQQ-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16(20)15-8-4-9-17(15)10-5-11-18(13-17)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,20)/t15-,17+/m0/s1.
What are the key properties of (4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid?
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 15517982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).