2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid

C15H17FN2O4 — CID 134077528

IUPAC2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid
SMILESO=C(O)CN1CC2(CCC(C(=O)Nc3cccc(F)c3)O2)C1
InChIInChI=1S/C15H17FN2O4/c16-10-2-1-3-11(6-10)17-14(21)12-4-5-15(22-12)8-18(9-15)7-13(19)20/h1-3,6,12H,4-5,7-9H2,(H,17,21)(H,19,20)
InChIKeyVLQAISMYGKDUPX-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.08
Rot. Bonds4

About 2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid

2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid (PubChem CID 134077528) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid
PubChem CID134077528
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid
SMILESO=C(O)CN1CC2(CCC(C(=O)Nc3cccc(F)c3)O2)C1
InChIInChI=1S/C15H17FN2O4/c16-10-2-1-3-11(6-10)17-14(21)12-4-5-15(22-12)8-18(9-15)7-13(19)20/h1-3,6,12H,4-5,7-9H2,(H,17,21)(H,19,20)
InChIKeyVLQAISMYGKDUPX-UHFFFAOYSA-N
XLogP1.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid
CID 131663328
2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 155853980
2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid
CID 97486903
8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 131655904
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155846938
(1S)-3-[(3-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 19577220
3-[(3-fluorophenyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17379130
(1R,2R,3R,4R)-3-[(3-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 6359767
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid?
The IUPAC name of 2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid (CID 134077528) is 2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid.
What is the SMILES notation for 2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid?
The canonical SMILES for 2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid is O=C(O)CN1CC2(CCC(C(=O)Nc3cccc(F)c3)O2)C1.
What is the InChIKey of 2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid?
The InChIKey is VLQAISMYGKDUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c16-10-2-1-3-11(6-10)17-14(21)12-4-5-15(22-12)8-18(9-15)7-13(19)20/h1-3,6,12H,4-5,7-9H2,(H,17,21)(H,19,20).
What are the key properties of 2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid?
2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid has a molecular weight of 308.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid is sourced from PubChem (CID 134077528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).