2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid

C15H19FN2O3 — CID 97486903

IUPAC2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid
SMILESO=C(O)CN1CC[C@@]2(C[C@@H](Nc3cccc(F)c3)CO2)C1
InChIInChI=1S/C15H19FN2O3/c16-11-2-1-3-12(6-11)17-13-7-15(21-9-13)4-5-18(10-15)8-14(19)20/h1-3,6,13,17H,4-5,7-10H2,(H,19,20)/t13-,15-/m1/s1
InChIKeyUTAUGXMFQLRXNN-UKRRQHHQSA-N
MW294.33 g/mol
LogP1.56
Rot. Bonds4

About 2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid

2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid (PubChem CID 97486903) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid
PubChem CID97486903
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid
SMILESO=C(O)CN1CC[C@@]2(C[C@@H](Nc3cccc(F)c3)CO2)C1
InChIInChI=1S/C15H19FN2O3/c16-11-2-1-3-12(6-11)17-13-7-15(21-9-13)4-5-18(10-15)8-14(19)20/h1-3,6,13,17H,4-5,7-10H2,(H,19,20)/t13-,15-/m1/s1
InChIKeyUTAUGXMFQLRXNN-UKRRQHHQSA-N
XLogP1.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid with MolForge

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Related Compounds

(3S,5S)-N-(3-fluorophenyl)-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97370963
(3R,5R)-N-(3-fluorophenyl)-7-(furan-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97370968
(3S,5R)-N-(3-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97485859
N-(3-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131652465
N-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076704
2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid
CID 131663328
[(3S,5R)-3-(3-fluoroanilino)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97489170
2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 155853980
2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid
CID 134077528
(3R,5R)-N-(3-fluorophenyl)-7-(1-methylimidazol-4-yl)sulfonyl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98777943
7-[(1-methylimidazol-2-yl)methyl]-N-phenyl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076701
(3R,5S)-7-benzyl-N-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778038

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid?
The IUPAC name of 2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid (CID 97486903) is 2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid.
What is the SMILES notation for 2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid?
The canonical SMILES for 2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid is O=C(O)CN1CC[C@@]2(C[C@@H](Nc3cccc(F)c3)CO2)C1.
What is the InChIKey of 2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid?
The InChIKey is UTAUGXMFQLRXNN-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-11-2-1-3-12(6-11)17-13-7-15(21-9-13)4-5-18(10-15)8-14(19)20/h1-3,6,13,17H,4-5,7-10H2,(H,19,20)/t13-,15-/m1/s1.
What are the key properties of 2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid?
2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid is sourced from PubChem (CID 97486903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).