cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid

C17H23FN2O5S — CID 120674830

IUPACcis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C17H23FN2O5S/c1-10(2)15(16(21)19-12-8-7-11(9-12)17(22)23)20-26(24,25)14-6-4-3-5-13(14)18/h3-6,10-12,15,20H,7-9H2,1-2H3,(H,19,21)(H,22,23)/t11-,12+,15?/m0/s1
InChIKeyXEHHUABCILRAFX-VPUIJTBTSA-N
MW386.45 g/mol
LogP1.50
Rot. Bonds7

About cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120674830) has the molecular formula C17H23FN2O5S and a molecular weight of 386.45 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120674830
Molecular FormulaC17H23FN2O5S
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC Namecis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C17H23FN2O5S/c1-10(2)15(16(21)19-12-8-7-11(9-12)17(22)23)20-26(24,25)14-6-4-3-5-13(14)18/h3-6,10-12,15,20H,7-9H2,1-2H3,(H,19,21)(H,22,23)/t11-,12+,15?/m0/s1
InChIKeyXEHHUABCILRAFX-VPUIJTBTSA-N
XLogP1.50
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120677269
1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid
CID 119166127
N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide
CID 55941605
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120577893
2-fluoro-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 18108508
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 119589001
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270
cis-(1R,3S)-3-[2-(2-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320893
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 18108558
cis-(1S,3R)-3-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120674933

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid (CID 120674830) is cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid is CC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XEHHUABCILRAFX-VPUIJTBTSA-N. The full InChI is InChI=1S/C17H23FN2O5S/c1-10(2)15(16(21)19-12-8-7-11(9-12)17(22)23)20-26(24,25)14-6-4-3-5-13(14)18/h3-6,10-12,15,20H,7-9H2,1-2H3,(H,19,21)(H,22,23)/t11-,12+,15?/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 386.45 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120674830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).