phenoxysulfinyl 2-aminoacetate

C8H9NO4S — CID 174683728

IUPACphenoxysulfinyl 2-aminoacetate
SMILESNCC(=O)OS(=O)Oc1ccccc1
InChIInChI=1S/C8H9NO4S/c9-6-8(10)13-14(11)12-7-4-2-1-3-5-7/h1-5H,6,9H2
InChIKeyGTWPRWHAEXJTDB-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.15
Rot. Bonds4

About phenoxysulfinyl 2-aminoacetate

phenoxysulfinyl 2-aminoacetate (PubChem CID 174683728) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is phenoxysulfinyl 2-aminoacetate.

Molecular Properties

Compound Namephenoxysulfinyl 2-aminoacetate
PubChem CID174683728
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Namephenoxysulfinyl 2-aminoacetate
SMILESNCC(=O)OS(=O)Oc1ccccc1
InChIInChI=1S/C8H9NO4S/c9-6-8(10)13-14(11)12-7-4-2-1-3-5-7/h1-5H,6,9H2
InChIKeyGTWPRWHAEXJTDB-UHFFFAOYSA-N
XLogP0.15
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxyethyl 2-aminoacetate
CID 61302270
phenyl 2-fluoroethanesulfinate
CID 91127696
ethenyl phenyl sulfite
CID 151720739
sodium;hydride;phenyl aminomethanesulfinate
CID 174802151
benzyl 2-aminoacetate
CID 122130027
phenyl 4-aminobutanoate
CID 54753951
sodium;hydride;phenyl hydrogen sulfite
CID 174520847
phenyl 3-aminopropanoate;hydrochloride
CID 67243612
benzyl 2-aminoacetate;hydrochloride
CID 11701227
phenyl sulfino carbonate
CID 56974658
methyl 2-aminoacetate;bis(methyl 3-aminopropanoate);phenyl 2-aminoacetate
CID 157086326
(4-benzoylphenyl) 2-aminoacetate
CID 174837870

Frequently Asked Questions

What is the IUPAC name of phenoxysulfinyl 2-aminoacetate?
The IUPAC name of phenoxysulfinyl 2-aminoacetate (CID 174683728) is phenoxysulfinyl 2-aminoacetate.
What is the SMILES notation for phenoxysulfinyl 2-aminoacetate?
The canonical SMILES for phenoxysulfinyl 2-aminoacetate is NCC(=O)OS(=O)Oc1ccccc1.
What is the InChIKey of phenoxysulfinyl 2-aminoacetate?
The InChIKey is GTWPRWHAEXJTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c9-6-8(10)13-14(11)12-7-4-2-1-3-5-7/h1-5H,6,9H2.
What are the key properties of phenoxysulfinyl 2-aminoacetate?
phenoxysulfinyl 2-aminoacetate has a molecular weight of 215.23 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxysulfinyl 2-aminoacetate is sourced from PubChem (CID 174683728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).