5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid

C20H25FN2O5 — CID 11992317

IUPAC5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C20H25FN2O5/c1-14(11-18(25)26)10-17(24)22-8-6-20(7-9-22)13-23(19(27)28-20)12-15-4-2-3-5-16(15)21/h2-5,14H,6-13H2,1H3,(H,25,26)
InChIKeyMWMBDYFTVOYGGU-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.64
Rot. Bonds6

About 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid

5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid (PubChem CID 11992317) 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-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid
PubChem CID11992317
Molecular FormulaC20H25FN2O5
Molecular Weight392.43 g/mol
Exact Mass392.17
IUPAC Name5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C20H25FN2O5/c1-14(11-18(25)26)10-17(24)22-8-6-20(7-9-22)13-23(19(27)28-20)12-15-4-2-3-5-16(15)21/h2-5,14H,6-13H2,1H3,(H,25,26)
InChIKeyMWMBDYFTVOYGGU-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid (CID 11992317) is 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2.
What is the InChIKey of 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid?
The InChIKey is MWMBDYFTVOYGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5/c1-14(11-18(25)26)10-17(24)22-8-6-20(7-9-22)13-23(19(27)28-20)12-15-4-2-3-5-16(15)21/h2-5,14H,6-13H2,1H3,(H,25,26).
What are the key properties of 5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid?
5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid has a molecular weight of 392.43 g/mol, XLogP of 2.64, 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-3,8-diazaspiro[4.5]decan-8-yl]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 11992317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).