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

C15H17FN2O4 — CID 66901720

IUPAC3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C15H17FN2O4/c16-12-4-2-1-3-11(12)9-18-10-15(22-14(18)21)5-7-17(8-6-15)13(19)20/h1-4H,5-10H2,(H,19,20)
InChIKeyYCQMDBXQHCYNAP-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.29
Rot. Bonds2

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

3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 66901720) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid
PubChem CID66901720
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C15H17FN2O4/c16-12-4-2-1-3-11(12)9-18-10-15(22-14(18)21)5-7-17(8-6-15)13(19)20/h1-4H,5-10H2,(H,19,20)
InChIKeyYCQMDBXQHCYNAP-UHFFFAOYSA-N
XLogP2.29
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid (CID 66901720) is 3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid is O=C(O)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is YCQMDBXQHCYNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c16-12-4-2-1-3-11(12)9-18-10-15(22-14(18)21)5-7-17(8-6-15)13(19)20/h1-4H,5-10H2,(H,19,20).
What are the key properties of 3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid?
3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 308.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 66901720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).