(2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid

C9H10FNO5S — CID 170899573

IUPAC(2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccccc1OS(=O)(=O)F)C(=O)O
InChIInChI=1S/C9H10FNO5S/c10-17(14,15)16-8-4-2-1-3-6(8)5-7(11)9(12)13/h1-4,7H,5,11H2,(H,12,13)/t7-/m0/s1
InChIKeyUJFGDSZLEYIKHG-ZETCQYMHSA-N
MW263.25 g/mol
LogP0.23
Rot. Bonds5

About (2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid

(2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid (PubChem CID 170899573) has the molecular formula C9H10FNO5S and a molecular weight of 263.25 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid
PubChem CID170899573
Molecular FormulaC9H10FNO5S
Molecular Weight263.25 g/mol
Exact Mass263.03
IUPAC Name(2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccccc1OS(=O)(=O)F)C(=O)O
InChIInChI=1S/C9H10FNO5S/c10-17(14,15)16-8-4-2-1-3-6(8)5-7(11)9(12)13/h1-4,7H,5,11H2,(H,12,13)/t7-/m0/s1
InChIKeyUJFGDSZLEYIKHG-ZETCQYMHSA-N
XLogP0.23
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
(2S)-2-amino-6-[(2-fluorosulfonyloxybenzoyl)amino]hexanoic acid
CID 170341158
2-amino-3-(4-fluorosulfonyloxyphenyl)propanoic acid
CID 130202342
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
[2-(2-aminopropyl)phenyl] hydrogen sulfate
CID 67113989
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
CID 10447189
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid (CID 170899573) is (2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid is N[C@@H](Cc1ccccc1OS(=O)(=O)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid?
The InChIKey is UJFGDSZLEYIKHG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10FNO5S/c10-17(14,15)16-8-4-2-1-3-6(8)5-7(11)9(12)13/h1-4,7H,5,11H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid?
(2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid has a molecular weight of 263.25 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid is sourced from PubChem (CID 170899573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).