[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate

C17H17FN2O5 — CID 8738110

IUPAC[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2O5/c1-10(19-16(22)14-7-4-8-24-14)17(23)25-11(2)15(21)20-13-6-3-5-12(18)9-13/h3-11H,1-2H3,(H,19,22)(H,20,21)/t10-,11-/m0/s1
InChIKeyWJWQITLFHPWLNG-QWRGUYRKSA-N
MW348.33 g/mol
LogP2.11
Rot. Bonds6

About [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate

[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate (PubChem CID 8738110) has the molecular formula C17H17FN2O5 and a molecular weight of 348.33 g/mol. Its IUPAC name is [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
PubChem CID8738110
Molecular FormulaC17H17FN2O5
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Name[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2O5/c1-10(19-16(22)14-7-4-8-24-14)17(23)25-11(2)15(21)20-13-6-3-5-12(18)9-13/h3-11H,1-2H3,(H,19,22)(H,20,21)/t10-,11-/m0/s1
InChIKeyWJWQITLFHPWLNG-QWRGUYRKSA-N
XLogP2.11
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738131
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738121
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2459579
N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24664556
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55424509
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566259
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7486717
N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 43043446
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981808

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate (CID 8738110) is [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate is C[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)Nc1cccc(F)c1.
What is the InChIKey of [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is WJWQITLFHPWLNG-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H17FN2O5/c1-10(19-16(22)14-7-4-8-24-14)17(23)25-11(2)15(21)20-13-6-3-5-12(18)9-13/h3-11H,1-2H3,(H,19,22)(H,20,21)/t10-,11-/m0/s1.
What are the key properties of [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate?
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 348.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 8738110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).