2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid

C15H19FN2O5S — CID 97324345

IUPAC2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H19FN2O5S/c1-10(14(21)17-15(7-2-8-15)9-13(19)20)18-24(22,23)12-5-3-11(16)4-6-12/h3-6,10,18H,2,7-9H2,1H3,(H,17,21)(H,19,20)/t10-/m0/s1
InChIKeyUXJRVNLPJCUUDV-JTQLQIEISA-N
MW358.39 g/mol
LogP1.01
Rot. Bonds7

About 2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid

2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid (PubChem CID 97324345) has the molecular formula C15H19FN2O5S and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid
PubChem CID97324345
Molecular FormulaC15H19FN2O5S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC Name2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H19FN2O5S/c1-10(14(21)17-15(7-2-8-15)9-13(19)20)18-24(22,23)12-5-3-11(16)4-6-12/h3-6,10,18H,2,7-9H2,1H3,(H,17,21)(H,19,20)/t10-/m0/s1
InChIKeyUXJRVNLPJCUUDV-JTQLQIEISA-N
XLogP1.01
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
(2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide
CID 55941118
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
CID 124549106
2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid
CID 79845804
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 4539824
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid (CID 97324345) is 2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid is C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid?
The InChIKey is UXJRVNLPJCUUDV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19FN2O5S/c1-10(14(21)17-15(7-2-8-15)9-13(19)20)18-24(22,23)12-5-3-11(16)4-6-12/h3-6,10,18H,2,7-9H2,1H3,(H,17,21)(H,19,20)/t10-/m0/s1.
What are the key properties of 2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid?
2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid has a molecular weight of 358.39 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 97324345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).