5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid

C20H25FN2O5 — CID 90690641

IUPAC5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1N(Cc2ccccc2F)C(=O)OC12CCCCC2
InChIInChI=1S/C20H25FN2O5/c1-14(12-18(25)26)11-17(24)23-20(9-5-2-6-10-20)28-19(27)22(23)13-15-7-3-4-8-16(15)21/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,25,26)
InChIKeyQZFILFQOUHFRFY-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.68
Rot. Bonds6

About 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid

5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid (PubChem CID 90690641) has the molecular formula C20H25FN2O5 and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid
PubChem CID90690641
Molecular FormulaC20H25FN2O5
Molecular Weight392.43 g/mol
Exact Mass392.17
IUPAC Name5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1N(Cc2ccccc2F)C(=O)OC12CCCCC2
InChIInChI=1S/C20H25FN2O5/c1-14(12-18(25)26)11-17(24)23-20(9-5-2-6-10-20)28-19(27)22(23)13-15-7-3-4-8-16(15)21/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,25,26)
InChIKeyQZFILFQOUHFRFY-UHFFFAOYSA-N
XLogP3.68
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119168113
[3-[(2-cyanophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl] hydrogen carbonate
CID 91560358
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one
CID 69278722
(3S)-3-[[(2S)-2-[[2-[2-(2-fluorophenyl)ethyl]oxan-2-yl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 87933030
5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964130
3-(2-fluoroanilino)-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 5305843
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
2-ethyl-1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid
CID 114834843
(3R,4S)-4-[(2-fluorophenyl)methyl-formylamino]-3-methyl-4-phenylbutanoic acid
CID 125415643
2-(2-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203853

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid (CID 90690641) is 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1N(Cc2ccccc2F)C(=O)OC12CCCCC2.
What is the InChIKey of 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid?
The InChIKey is QZFILFQOUHFRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5/c1-14(12-18(25)26)11-17(24)23-20(9-5-2-6-10-20)28-19(27)22(23)13-15-7-3-4-8-16(15)21/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,25,26).
What are the key properties of 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid?
5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid has a molecular weight of 392.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 90690641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).