2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C22H24N2O5 — CID 70750133

IUPAC2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(C(=O)c3c(O)ccc4ccccc34)CC2)CC1C(=O)O
InChIInChI=1S/C22H24N2O5/c1-14(25)24-13-22(12-17(24)21(28)29)8-10-23(11-9-22)20(27)19-16-5-3-2-4-15(16)6-7-18(19)26/h2-7,17,26H,8-13H2,1H3,(H,28,29)
InChIKeyZUHGUJQTJLZXAI-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.47
Rot. Bonds2

About 2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70750133) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID70750133
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(C(=O)c3c(O)ccc4ccccc34)CC2)CC1C(=O)O
InChIInChI=1S/C22H24N2O5/c1-14(25)24-13-22(12-17(24)21(28)29)8-10-23(11-9-22)20(27)19-16-5-3-2-4-15(16)6-7-18(19)26/h2-7,17,26H,8-13H2,1H3,(H,28,29)
InChIKeyZUHGUJQTJLZXAI-UHFFFAOYSA-N
XLogP2.47
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70721642
(3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97041619
2-acetyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70719914
(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 11572416
2-acetyl-8-(3-pyridin-2-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72909955
(3S)-2-acetyl-8-[(E)-2-methyl-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97147081
(3S)-2-acetyl-8-[2-(4-chlorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97127872
(3R)-2-acetyl-8-[(3-hydroxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 96577027
(3S)-2-acetyl-8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 96572387
2-acetyl-8-(2-cyclopentylacetyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 134078658
2-acetyl-8-(4-imidazol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 131647405
2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70716826

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70750133) is 2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(=O)N1CC2(CCN(C(=O)c3c(O)ccc4ccccc34)CC2)CC1C(=O)O.
What is the InChIKey of 2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is ZUHGUJQTJLZXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-14(25)24-13-22(12-17(24)21(28)29)8-10-23(11-9-22)20(27)19-16-5-3-2-4-15(16)6-7-18(19)26/h2-7,17,26H,8-13H2,1H3,(H,28,29).
What are the key properties of 2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 396.44 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70750133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).