8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H20FN3O4 — CID 72880435

IUPAC8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)Nc1cccc(F)c1)CC2
InChIInChI=1S/C17H20FN3O4/c1-20-14(22)10-13(15(23)24)17(20)5-7-21(8-6-17)16(25)19-12-4-2-3-11(18)9-12/h2-4,9,13H,5-8,10H2,1H3,(H,19,25)(H,23,24)
InChIKeyCXOOECACZBCYEE-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.76
Rot. Bonds2

About 8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72880435) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72880435
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)Nc1cccc(F)c1)CC2
InChIInChI=1S/C17H20FN3O4/c1-20-14(22)10-13(15(23)24)17(20)5-7-21(8-6-17)16(25)19-12-4-2-3-11(18)9-12/h2-4,9,13H,5-8,10H2,1H3,(H,19,25)(H,23,24)
InChIKeyCXOOECACZBCYEE-UHFFFAOYSA-N
XLogP1.76
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72880435) is 8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(C(=O)Nc1cccc(F)c1)CC2.
What is the InChIKey of 8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is CXOOECACZBCYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-20-14(22)10-13(15(23)24)17(20)5-7-21(8-6-17)16(25)19-12-4-2-3-11(18)9-12/h2-4,9,13H,5-8,10H2,1H3,(H,19,25)(H,23,24).
What are the key properties of 8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 349.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72880435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).