2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid

C15H19NO5S — CID 119189540

IUPAC2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C15H19NO5S/c1-21-8-7-16(9-15(19)20)14(18)11-22-10-13(17)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,19,20)
InChIKeyVYSJSEMYAVUMGF-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.16
Rot. Bonds10

About 2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid

2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid (PubChem CID 119189540) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
PubChem CID119189540
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Name2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C15H19NO5S/c1-21-8-7-16(9-15(19)20)14(18)11-22-10-13(17)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,19,20)
InChIKeyVYSJSEMYAVUMGF-UHFFFAOYSA-N
XLogP1.16
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119206349
3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid
CID 75383603
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
2-[[(2R)-2-amino-2-phenylacetyl]-(2-methoxyethyl)amino]acetic acid
CID 79272062
2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
CID 119189078
2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid
CID 120516172
2-[2-methoxyethyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetic acid
CID 119348186
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241
2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189073
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid (CID 119189540) is 2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)CSCC(=O)c1ccccc1.
What is the InChIKey of 2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid?
The InChIKey is VYSJSEMYAVUMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-21-8-7-16(9-15(19)20)14(18)11-22-10-13(17)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid?
2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid has a molecular weight of 325.39 g/mol, XLogP of 1.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid is sourced from PubChem (CID 119189540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).