2-(2-amino-2-oxoethyl)sulfinylacetic acid

C4H7NO4S — CID 19373177

IUPAC2-(2-amino-2-oxoethyl)sulfinylacetic acid
SMILESNC(=O)CS(=O)CC(=O)O
InChIInChI=1S/C4H7NO4S/c5-3(6)1-10(9)2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
InChIKeyLJRBNLVYGIXJBR-UHFFFAOYSA-N
MW165.17 g/mol
LogP-1.70
Rot. Bonds4

About 2-(2-amino-2-oxoethyl)sulfinylacetic acid

2-(2-amino-2-oxoethyl)sulfinylacetic acid (PubChem CID 19373177) has the molecular formula C4H7NO4S and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfinylacetic acid.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfinylacetic acid
PubChem CID19373177
Molecular FormulaC4H7NO4S
Molecular Weight165.17 g/mol
Exact Mass165.01
IUPAC Name2-(2-amino-2-oxoethyl)sulfinylacetic acid
SMILESNC(=O)CS(=O)CC(=O)O
InChIInChI=1S/C4H7NO4S/c5-3(6)1-10(9)2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
InChIKeyLJRBNLVYGIXJBR-UHFFFAOYSA-N
XLogP-1.70
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
2-(3,3,3-trifluoropropylsulfinyl)acetamide
CID 87340364
2-benzylsulfinylacetamide;ethane
CID 91390108
2-[2-(cyanomethylamino)-2-oxoethyl]sulfinylacetic acid
CID 60981994
2-acetamido-3-(2-amino-2-oxoethyl)sulfinylpropanoic acid
CID 107768598
2-chlorosulfinylacetic acid
CID 87759618
2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfinylacetic acid
CID 61489146
2-aminoacetic acid;cadmium
CID 87269769
bis(2-aminoacetic acid);copper
CID 50912486
2-(15N)azanylacetamide;hydrochloride
CID 131708744
2-aminoacetamide;dihydrobromide
CID 20567050
2-aminoacetamide;methane
CID 174826964

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfinylacetic acid?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfinylacetic acid (CID 19373177) is 2-(2-amino-2-oxoethyl)sulfinylacetic acid.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfinylacetic acid?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfinylacetic acid is NC(=O)CS(=O)CC(=O)O.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfinylacetic acid?
The InChIKey is LJRBNLVYGIXJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4S/c5-3(6)1-10(9)2-4(7)8/h1-2H2,(H2,5,6)(H,7,8).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfinylacetic acid?
2-(2-amino-2-oxoethyl)sulfinylacetic acid has a molecular weight of 165.17 g/mol, XLogP of -1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfinylacetic acid is sourced from PubChem (CID 19373177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).