8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C20H29N3O4 — CID 72932474

IUPAC8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN(C)CCOc1ccccc1CN1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C20H29N3O4/c1-22(2)11-12-27-17-6-4-3-5-15(17)14-23-9-7-20(8-10-23)16(19(25)26)13-18(24)21-20/h3-6,16H,7-14H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyZVQPUZKPRDZIKO-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.18
Rot. Bonds7

About 8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72932474) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72932474
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN(C)CCOc1ccccc1CN1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C20H29N3O4/c1-22(2)11-12-27-17-6-4-3-5-15(17)14-23-9-7-20(8-10-23)16(19(25)26)13-18(24)21-20/h3-6,16H,7-14H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyZVQPUZKPRDZIKO-UHFFFAOYSA-N
XLogP1.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

(4S)-8-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97186659
cyclobutyl-[4-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 135120176
(4S)-8-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97192796
(4R)-8-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207182
(4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124854223
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77094318
(4R)-8-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97202571
(4R)-8-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207663
(4R)-8-[(5-cyano-1-methylpyrrol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97124838
3-[2-[2-(dimethylamino)ethoxy]phenyl]propanoyl chloride
CID 39260422
(4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124751533
4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid
CID 119994243

Frequently Asked Questions

What is the IUPAC name of 8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72932474) is 8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN(C)CCOc1ccccc1CN1CCC2(CC1)NC(=O)CC2C(=O)O.
What is the InChIKey of 8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is ZVQPUZKPRDZIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-22(2)11-12-27-17-6-4-3-5-15(17)14-23-9-7-20(8-10-23)16(19(25)26)13-18(24)21-20/h3-6,16H,7-14H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72932474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).