8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C19H24FN3O4 — CID 72917556

IUPAC8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)NCCc1ccccc1F)CC2
InChIInChI=1S/C19H24FN3O4/c1-22-16(24)12-14(17(25)26)19(22)7-10-23(11-8-19)18(27)21-9-6-13-4-2-3-5-15(13)20/h2-5,14H,6-12H2,1H3,(H,21,27)(H,25,26)
InChIKeyPAFNMEOTBUXXDU-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.48
Rot. Bonds4

About 8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72917556) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is 8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72917556
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)NCCc1ccccc1F)CC2
InChIInChI=1S/C19H24FN3O4/c1-22-16(24)12-14(17(25)26)19(22)7-10-23(11-8-19)18(27)21-9-6-13-4-2-3-5-15(13)20/h2-5,14H,6-12H2,1H3,(H,21,27)(H,25,26)
InChIKeyPAFNMEOTBUXXDU-UHFFFAOYSA-N
XLogP1.48
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72917556) is 8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(C(=O)NCCc1ccccc1F)CC2.
What is the InChIKey of 8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is PAFNMEOTBUXXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-22-16(24)12-14(17(25)26)19(22)7-10-23(11-8-19)18(27)21-9-6-13-4-2-3-5-15(13)20/h2-5,14H,6-12H2,1H3,(H,21,27)(H,25,26).
What are the key properties of 8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 377.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-fluorophenyl)ethylcarbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72917556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).