8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H24N2O5 — CID 56913895

IUPAC8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c(O)c1
InChIInChI=1S/C18H24N2O5/c1-19-11-18(10-14(19)17(23)24)5-7-20(8-6-18)16(22)13-4-3-12(25-2)9-15(13)21/h3-4,9,14,21H,5-8,10-11H2,1-2H3,(H,23,24)
InChIKeyIUYDQOUTSDKZGG-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.41
Rot. Bonds3

About 8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56913895) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56913895
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c(O)c1
InChIInChI=1S/C18H24N2O5/c1-19-11-18(10-14(19)17(23)24)5-7-20(8-6-18)16(22)13-4-3-12(25-2)9-15(13)21/h3-4,9,14,21H,5-8,10-11H2,1-2H3,(H,23,24)
InChIKeyIUYDQOUTSDKZGG-UHFFFAOYSA-N
XLogP1.41
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

(3R)-8-(2,4-difluoro-3-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95722543
3-amino-1-(2-hydroxy-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 107323662
1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146777
8-(5-chloro-2-fluorobenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56899230
(3S)-8-(3-hydroxy-4-methylbenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95723385
(4-ethyl-4-methylpiperidin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 62728608
(2-hydroxy-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404889
(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711808
(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63619887
3-(2-hydroxy-4-methoxybenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63790731
(3R)-2-methyl-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95727982
(3R)-8-[3-(dimethylamino)benzoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95728540

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56913895) is 8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is COc1ccc(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c(O)c1.
What is the InChIKey of 8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is IUYDQOUTSDKZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-19-11-18(10-14(19)17(23)24)5-7-20(8-6-18)16(22)13-4-3-12(25-2)9-15(13)21/h3-4,9,14,21H,5-8,10-11H2,1-2H3,(H,23,24).
What are the key properties of 8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxy-4-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56913895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).