8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H22N2O4S — CID 72899701

IUPAC8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCC(=O)c1cc(CN2CCC3(CC2)C(C(=O)O)CC(=O)N3C)cs1
InChIInChI=1S/C17H22N2O4S/c1-11(20)14-7-12(10-24-14)9-19-5-3-17(4-6-19)13(16(22)23)8-15(21)18(17)2/h7,10,13H,3-6,8-9H2,1-2H3,(H,22,23)
InChIKeyFEKAMNMTGVMLSX-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.85
Rot. Bonds4

About 8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72899701) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72899701
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCC(=O)c1cc(CN2CCC3(CC2)C(C(=O)O)CC(=O)N3C)cs1
InChIInChI=1S/C17H22N2O4S/c1-11(20)14-7-12(10-24-14)9-19-5-3-17(4-6-19)13(16(22)23)8-15(21)18(17)2/h7,10,13H,3-6,8-9H2,1-2H3,(H,22,23)
InChIKeyFEKAMNMTGVMLSX-UHFFFAOYSA-N
XLogP1.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

(3S*,4S*)-4-isopropyl-1-[(3-methyl-2-thienyl)carbonyl]-3-pyrrolidinecarboxylic acid
CID 72856093
(3S*,4S*)-4-isopropyl-1-[(5-methyl-3-thienyl)carbonyl]-3-pyrrolidinecarboxylic acid
CID 72888623
1-Methyl-8-[(5-methyl-2-thienyl)carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72846222
ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 132463599
1-(4-Acetylthiophene-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259674
(3S,4S)-1-(4-acetylthiophene-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951617
1-(5-Ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43239661
Methyl 1-ethyl-2-oxo-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45210141
Methyl 1-methyl-2-oxo-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45227494
(3S*,5R*)-1-[(4-ethyl-5-methyl-3-thienyl)carbonyl]-5-(1-pyrrolidinylcarbonyl)-3-piperidinecarboxylic acid
CID 56911572
8-[(5-Cyclopentyl-2-thienyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72904430
ethyl (3R,4R)-3-hydroxy-2-oxo-1-propan-2-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 132459953

Frequently Asked Questions

What is the IUPAC name of 8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72899701) is 8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CC(=O)c1cc(CN2CCC3(CC2)C(C(=O)O)CC(=O)N3C)cs1.
What is the InChIKey of 8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is FEKAMNMTGVMLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11(20)14-7-12(10-24-14)9-19-5-3-17(4-6-19)13(16(22)23)8-15(21)18(17)2/h7,10,13H,3-6,8-9H2,1-2H3,(H,22,23).
What are the key properties of 8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 350.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-acetylthiophen-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72899701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).