(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid

C11H14FNO4S — CID 972328

IUPAC(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C11H14FNO4S/c1-7(2)10(11(14)15)13-18(16,17)9-6-4-3-5-8(9)12/h3-7,10,13H,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyPQVVECYLSLMVBT-SNVBAGLBSA-N
MW275.30 g/mol
LogP1.21
Rot. Bonds5

About (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid

(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 972328) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
PubChem CID972328
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C11H14FNO4S/c1-7(2)10(11(14)15)13-18(16,17)9-6-4-3-5-8(9)12/h3-7,10,13H,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyPQVVECYLSLMVBT-SNVBAGLBSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
(2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828998
3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 113415917
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 40608062
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 18108558
(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 61137287
2-[(2-fluorophenyl)sulfonylamino]butanedioic acid
CID 71628755
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010898
(2R)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010727
1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid
CID 119166127
cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120674830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid (CID 972328) is (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid is CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is PQVVECYLSLMVBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-7(2)10(11(14)15)13-18(16,17)9-6-4-3-5-8(9)12/h3-7,10,13H,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 972328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).