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

C20H28N2O3S — CID 72904430

IUPAC8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1ccc(C3CCCC3)s1)CC2
InChIInChI=1S/C20H28N2O3S/c1-21-18(23)12-16(19(24)25)20(21)8-10-22(11-9-20)13-15-6-7-17(26-15)14-4-2-3-5-14/h6-7,14,16H,2-5,8-13H2,1H3,(H,24,25)
InChIKeyIJZMEJDANJTSHF-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.30
Rot. Bonds4

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

8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72904430) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72904430
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1ccc(C3CCCC3)s1)CC2
InChIInChI=1S/C20H28N2O3S/c1-21-18(23)12-16(19(24)25)20(21)8-10-22(11-9-20)13-15-6-7-17(26-15)14-4-2-3-5-14/h6-7,14,16H,2-5,8-13H2,1H3,(H,24,25)
InChIKeyIJZMEJDANJTSHF-UHFFFAOYSA-N
XLogP3.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72904430) is 8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(Cc1ccc(C3CCCC3)s1)CC2.
What is the InChIKey of 8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is IJZMEJDANJTSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-21-18(23)12-16(19(24)25)20(21)8-10-22(11-9-20)13-15-6-7-17(26-15)14-4-2-3-5-14/h6-7,14,16H,2-5,8-13H2,1H3,(H,24,25).
What are the key properties of 8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 376.52 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-cyclopentylthiophen-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72904430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).