1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid

C16H17FN2O4 — CID 71117238

IUPAC1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESCC1CC2(CCN1C(=O)O)C(=O)CC(=O)N2c1cccc(F)c1
InChIInChI=1S/C16H17FN2O4/c1-10-9-16(5-6-18(10)15(22)23)13(20)8-14(21)19(16)12-4-2-3-11(17)7-12/h2-4,7,10H,5-6,8-9H2,1H3,(H,22,23)
InChIKeyWLRZYNRBLTWECA-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.03
Rot. Bonds1

About 1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid

1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 71117238) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid
PubChem CID71117238
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESCC1CC2(CCN1C(=O)O)C(=O)CC(=O)N2c1cccc(F)c1
InChIInChI=1S/C16H17FN2O4/c1-10-9-16(5-6-18(10)15(22)23)13(20)8-14(21)19(16)12-4-2-3-11(17)7-12/h2-4,7,10H,5-6,8-9H2,1H3,(H,22,23)
InChIKeyWLRZYNRBLTWECA-UHFFFAOYSA-N
XLogP2.03
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

benzyl (5R,7S)-1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 118798310
(2S,4R)-4-cyano-4-(3-fluoroanilino)-2-methylpiperidine-1-carboxylic acid
CID 69409369
(5R,7S)-4-benzyl-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid
CID 66930734
(7S)-3-benzyl-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid
CID 66930606
benzyl 1-(3-fluorophenyl)-3,3,7-trimethyl-2,2,4-trioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 77295615
[8-(cyclobutylmethyl)-1-(3-fluorophenyl)-7-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-4-ylidene]carbamic acid
CID 173115388
benzyl (5R,7S)-1-(3-fluorophenyl)-7-methyl-2-oxo-3-(trifluoromethylsulfonyloxy)-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 58432871
(5R,7S)-8-benzyl-1-(3-fluorophenyl)-7-methyl-4-spiro[2.5]octan-6-ylimino-1,3,8-triazaspiro[4.5]decan-2-one
CID 135416370
1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
CID 117025508
(5R,7S)-4-amino-8-(cyclobutylmethyl)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 66792632
4-amino-1-(3-fluorophenyl)piperidine-4-carboxylic acid
CID 117011798
1-(3-fluorophenyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017317

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid (CID 71117238) is 1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid is CC1CC2(CCN1C(=O)O)C(=O)CC(=O)N2c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is WLRZYNRBLTWECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-10-9-16(5-6-18(10)15(22)23)13(20)8-14(21)19(16)12-4-2-3-11(17)7-12/h2-4,7,10H,5-6,8-9H2,1H3,(H,22,23).
What are the key properties of 1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid?
1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 320.32 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 71117238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).