2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid

C15H17FN2O3 — CID 131663328

IUPAC2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid
SMILESO=C(O)CN1CCC2(CC2C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C15H17FN2O3/c16-10-2-1-3-11(6-10)17-14(21)12-7-15(12)4-5-18(9-15)8-13(19)20/h1-3,6,12H,4-5,7-9H2,(H,17,21)(H,19,20)
InChIKeyBWFFZWXJBVBJGW-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.56
Rot. Bonds4

About 2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid

2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid (PubChem CID 131663328) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid
PubChem CID131663328
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid
SMILESO=C(O)CN1CCC2(CC2C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C15H17FN2O3/c16-10-2-1-3-11(6-10)17-14(21)12-7-15(12)4-5-18(9-15)8-13(19)20/h1-3,6,12H,4-5,7-9H2,(H,17,21)(H,19,20)
InChIKeyBWFFZWXJBVBJGW-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 155853980
(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492919
(2S,3R)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492920
(2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97396709
2-N-(3-fluorophenyl)-5-N-[(3-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646523
2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid
CID 134077528
(2S,3S)-5-(4-ethylphenyl)sulfonyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492949
2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid
CID 97486903
N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463005
(2R,3S)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492855
(2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492854
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126466308

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid?
The IUPAC name of 2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid (CID 131663328) is 2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid is O=C(O)CN1CCC2(CC2C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid?
The InChIKey is BWFFZWXJBVBJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-10-2-1-3-11(6-10)17-14(21)12-7-15(12)4-5-18(9-15)8-13(19)20/h1-3,6,12H,4-5,7-9H2,(H,17,21)(H,19,20).
What are the key properties of 2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid?
2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid has a molecular weight of 292.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid is sourced from PubChem (CID 131663328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).