5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid

C23H25FN2O5S — CID 10183036

IUPAC5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid
SMILESCc1cc(-c2ccccc2)sc1C(=O)N1CCCC[C@H]1C(=O)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C23H25FN2O5S/c1-14-11-19(15-7-3-2-4-8-15)32-21(14)23(31)26-10-6-5-9-17(26)22(30)25-16(12-20(28)29)18(27)13-24/h2-4,7-8,11,16-17H,5-6,9-10,12-13H2,1H3,(H,25,30)(H,28,29)/t16?,17-/m0/s1
InChIKeyQMVQJNZZUJPLPM-DJNXLDHESA-N
MW460.53 g/mol
LogP3.22
Rot. Bonds8

About 5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid

5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid (PubChem CID 10183036) has the molecular formula C23H25FN2O5S and a molecular weight of 460.53 g/mol. Its IUPAC name is 5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid
PubChem CID10183036
Molecular FormulaC23H25FN2O5S
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC Name5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid
SMILESCc1cc(-c2ccccc2)sc1C(=O)N1CCCC[C@H]1C(=O)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C23H25FN2O5S/c1-14-11-19(15-7-3-2-4-8-15)32-21(14)23(31)26-10-6-5-9-17(26)22(30)25-16(12-20(28)29)18(27)13-24/h2-4,7-8,11,16-17H,5-6,9-10,12-13H2,1H3,(H,25,30)(H,28,29)/t16?,17-/m0/s1
InChIKeyQMVQJNZZUJPLPM-DJNXLDHESA-N
XLogP3.22
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid?
The IUPAC name of 5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid (CID 10183036) is 5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid.
What is the SMILES notation for 5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid?
The canonical SMILES for 5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid is Cc1cc(-c2ccccc2)sc1C(=O)N1CCCC[C@H]1C(=O)NC(CC(=O)O)C(=O)CF.
What is the InChIKey of 5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid?
The InChIKey is QMVQJNZZUJPLPM-DJNXLDHESA-N. The full InChI is InChI=1S/C23H25FN2O5S/c1-14-11-19(15-7-3-2-4-8-15)32-21(14)23(31)26-10-6-5-9-17(26)22(30)25-16(12-20(28)29)18(27)13-24/h2-4,7-8,11,16-17H,5-6,9-10,12-13H2,1H3,(H,25,30)(H,28,29)/t16?,17-/m0/s1.
What are the key properties of 5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid?
5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid has a molecular weight of 460.53 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[(2S)-1-(3-methyl-5-phenylthiophene-2-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid is sourced from PubChem (CID 10183036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).