8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H28N2O4 — CID 70711706

IUPAC8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)Cc3ccc(O)cc3)CC2)CC1C(=O)O
InChIInChI=1S/C20H28N2O4/c1-2-9-22-14-20(13-17(22)19(25)26)7-10-21(11-8-20)18(24)12-15-3-5-16(23)6-4-15/h3-6,17,23H,2,7-14H2,1H3,(H,25,26)
InChIKeyJHGVDPKFOMLSEY-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.11
Rot. Bonds5

About 8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70711706) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID70711706
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)Cc3ccc(O)cc3)CC2)CC1C(=O)O
InChIInChI=1S/C20H28N2O4/c1-2-9-22-14-20(13-17(22)19(25)26)7-10-21(11-8-20)18(24)12-15-3-5-16(23)6-4-15/h3-6,17,23H,2,7-14H2,1H3,(H,25,26)
InChIKeyJHGVDPKFOMLSEY-UHFFFAOYSA-N
XLogP2.11
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869094
(3S)-8-(3-hydroxybenzoyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95861164
(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95880584
(3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95886223
(3S)-2-acetyl-8-[2-(4-chlorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97127872
8-(2-methylpyrimidine-5-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56903968
8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70725662
8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56911064
8-(3-phenylpropyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56910285
(3R)-2-propyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897333
(3S)-8-(2,5-dimethylfuran-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95874960
2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid
CID 95894173

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70711706) is 8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(C(=O)Cc3ccc(O)cc3)CC2)CC1C(=O)O.
What is the InChIKey of 8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is JHGVDPKFOMLSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-2-9-22-14-20(13-17(22)19(25)26)7-10-21(11-8-20)18(24)12-15-3-5-16(23)6-4-15/h3-6,17,23H,2,7-14H2,1H3,(H,25,26).
What are the key properties of 8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70711706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).