2-{[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}ethane-1-sulfonic acid

HCID 71363085
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Basic information

CAS
439088-67-2
Standard SMILES
N[C@@H](C(=O)NCCS(=O)(=O)O)c1ccc(O)cc1
InChIKey
HRJFOJURJZDRDY-SECBINFHSA-N
Molecular formula
C10H14N2O5S
Average molar mass
274.3 g/mol
Monoisotopic mass
274.06234255

Names & identifiers

Preferred name
2-{[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}ethane-1-sulfonic acid
IUPAC
2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]ethanesulfonic acid

Names & synonyms

439088-67-2SCHEMBL2944289DTXSID00786670HRJFOJURJZDRDY-SECBINFHSA-N2-{[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}ethane-1-sulfonic acid2-{[(2R)-2-Amino-2-(4-hydroxy phenyl)ethanoyl]amino}ethanesulphonic Acid2-{[(2R)-2-Amino-2-(4-hydroxyphenyl)ethanoyl]amino}ethanesulphonic acid

Database identifiers

CAS
439088-67-2
PubChem CID
71363085
DTXSID
DTXSID00786670

Properties

Computed structural properties

XLogP
-3.4
Topological polar surface area
138 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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