2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H24N2O5 — CID 70721642

IUPAC2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(C(=O)c3cccc(O)c3C)CC2)CC1C(=O)O
InChIInChI=1S/C19H24N2O5/c1-12-14(4-3-5-16(12)23)17(24)20-8-6-19(7-9-20)10-15(18(25)26)21(11-19)13(2)22/h3-5,15,23H,6-11H2,1-2H3,(H,25,26)
InChIKeyNVMXAJXXNOZCAK-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.63
Rot. Bonds2

About 2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70721642) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID70721642
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(C(=O)c3cccc(O)c3C)CC2)CC1C(=O)O
InChIInChI=1S/C19H24N2O5/c1-12-14(4-3-5-16(12)23)17(24)20-8-6-19(7-9-20)10-15(18(25)26)21(11-19)13(2)22/h3-5,15,23H,6-11H2,1-2H3,(H,25,26)
InChIKeyNVMXAJXXNOZCAK-UHFFFAOYSA-N
XLogP1.63
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97041619
2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70716826
2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70750133
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
2-acetyl-8-(4-imidazol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 131647405
(3S)-8-acetyl-2-(4-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95863321
(3R)-2-acetyl-8-[(3-hydroxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 96577027
9-(3-hydroxy-2-methylbenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72865625
(2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97117922
2-acetyl-8-(3-pyridin-2-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72909955
(3S)-2-acetyl-8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 96572387
(3R)-2-acetyl-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 96577306

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70721642) is 2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(=O)N1CC2(CCN(C(=O)c3cccc(O)c3C)CC2)CC1C(=O)O.
What is the InChIKey of 2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is NVMXAJXXNOZCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12-14(4-3-5-16(12)23)17(24)20-8-6-19(7-9-20)10-15(18(25)26)21(11-19)13(2)22/h3-5,15,23H,6-11H2,1-2H3,(H,25,26).
What are the key properties of 2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70721642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).