(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid

C15H19FN2O5S — CID 27262140

IUPAC(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)O
InChIInChI=1S/C15H19FN2O5S/c1-10(15(20)21)17-14(19)11-5-6-12(16)13(9-11)24(22,23)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19)(H,20,21)/t10-/m0/s1
InChIKeyRHSKSXIQMNNZLG-JTQLQIEISA-N
MW358.39 g/mol
LogP1.20
Rot. Bonds5

About (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid

(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid (PubChem CID 27262140) has the molecular formula C15H19FN2O5S and a molecular weight of 358.39 g/mol. Its IUPAC name is (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
PubChem CID27262140
Molecular FormulaC15H19FN2O5S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC Name(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)O
InChIInChI=1S/C15H19FN2O5S/c1-10(15(20)21)17-14(19)11-5-6-12(16)13(9-11)24(22,23)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19)(H,20,21)/t10-/m0/s1
InChIKeyRHSKSXIQMNNZLG-JTQLQIEISA-N
XLogP1.20
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42955661
4-fluoro-N-[(2R)-pentan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37031936
methyl (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylbutanoate
CID 55942900
4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856177
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 16548347
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55896344
4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55794746
4-fluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26618996
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid (CID 27262140) is (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid is C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
The InChIKey is RHSKSXIQMNNZLG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19FN2O5S/c1-10(15(20)21)17-14(19)11-5-6-12(16)13(9-11)24(22,23)18-7-3-2-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19)(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid has a molecular weight of 358.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 27262140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).