(2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate

C12H15FN2O6S — CID 7563407

IUPAC(2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate
SMILESC[C@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(N)=O
InChIInChI=1S/C12H15FN2O6S/c1-7(16)11(12(18)21-6-10(14)17)15-22(19,20)9-4-2-8(13)3-5-9/h2-5,7,11,15-16H,6H2,1H3,(H2,14,17)/t7-,11-/m0/s1
InChIKeyTXKFZGOIVIWLTA-CPCISQLKSA-N
MW334.33 g/mol
LogP-1.12
Rot. Bonds7

About (2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate

(2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate (PubChem CID 7563407) has the molecular formula C12H15FN2O6S and a molecular weight of 334.33 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate
PubChem CID7563407
Molecular FormulaC12H15FN2O6S
Molecular Weight334.33 g/mol
Exact Mass334.06
IUPAC Name(2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate
SMILESC[C@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(N)=O
InChIInChI=1S/C12H15FN2O6S/c1-7(16)11(12(18)21-6-10(14)17)15-22(19,20)9-4-2-8(13)3-5-9/h2-5,7,11,15-16H,6H2,1H3,(H2,14,17)/t7-,11-/m0/s1
InChIKeyTXKFZGOIVIWLTA-CPCISQLKSA-N
XLogP-1.12
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate with MolForge

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 7563253
[2-(4-fluorophenyl)-2-oxoethyl] (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 126010775
[2-(4-fluorophenyl)-2-oxoethyl] (2R,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 126010766
(2R,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-methylpentanoate
CID 6935683
[2-(dimethylamino)-2-oxoethyl] (2R,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 7169342
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 40940688
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606177
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
4-fluoro-N-(2-hydroxy-2,4-dimethylhexan-3-yl)benzenesulfonamide
CID 21078753
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609267
(2S)-2-amino-3-[(4-fluorophenyl)sulfonylamino]butanedioic acid
CID 134157558
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 7878247

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate?
The IUPAC name of (2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate (CID 7563407) is (2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate?
The canonical SMILES for (2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate is C[C@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate?
The InChIKey is TXKFZGOIVIWLTA-CPCISQLKSA-N. The full InChI is InChI=1S/C12H15FN2O6S/c1-7(16)11(12(18)21-6-10(14)17)15-22(19,20)9-4-2-8(13)3-5-9/h2-5,7,11,15-16H,6H2,1H3,(H2,14,17)/t7-,11-/m0/s1.
What are the key properties of (2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate?
(2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate has a molecular weight of 334.33 g/mol, XLogP of -1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate is sourced from PubChem (CID 7563407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).