8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H26N2O5 — CID 56911064

IUPAC8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CCC2(CC1)CC(C(=O)O)N(Cc1ccc(CC(=O)O)cc1)C2
InChIInChI=1S/C20H26N2O5/c1-14(23)21-8-6-20(7-9-21)11-17(19(26)27)22(13-20)12-16-4-2-15(3-5-16)10-18(24)25/h2-5,17H,6-13H2,1H3,(H,24,25)(H,26,27)
InChIKeyNJICJAWEEZRSDN-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.60
Rot. Bonds5

About 8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56911064) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56911064
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CCC2(CC1)CC(C(=O)O)N(Cc1ccc(CC(=O)O)cc1)C2
InChIInChI=1S/C20H26N2O5/c1-14(23)21-8-6-20(7-9-21)11-17(19(26)27)22(13-20)12-16-4-2-15(3-5-16)10-18(24)25/h2-5,17H,6-13H2,1H3,(H,24,25)(H,26,27)
InChIKeyNJICJAWEEZRSDN-UHFFFAOYSA-N
XLogP1.60
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56901025
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 67355077
8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56881325
(3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95860695
(3S)-2-acetyl-8-[2-(4-chlorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97127872
8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70711706
(3S)-8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869094
8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56895775
8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56881678
(3R)-8-acetyl-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95875140
(3R)-2-acetyl-8-[[4-(2-methylpropyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 96573193
8-acetyl-2-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56883207

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56911064) is 8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(=O)N1CCC2(CC1)CC(C(=O)O)N(Cc1ccc(CC(=O)O)cc1)C2.
What is the InChIKey of 8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is NJICJAWEEZRSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-14(23)21-8-6-20(7-9-21)11-17(19(26)27)22(13-20)12-16-4-2-15(3-5-16)10-18(24)25/h2-5,17H,6-13H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56911064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).