methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate

C15H19NO6S — CID 43839656

IUPACmethyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate
SMILESCOC(=O)CN(C(=O)COc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19NO6S/c1-21-15(18)9-16(12-7-8-23(19,20)11-12)14(17)10-22-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyBGPUBTNRSNNXMW-UHFFFAOYSA-N
MW341.38 g/mol
LogP0.25
Rot. Bonds6

About methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate

methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate (PubChem CID 43839656) has the molecular formula C15H19NO6S and a molecular weight of 341.38 g/mol. Its IUPAC name is methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate
PubChem CID43839656
Molecular FormulaC15H19NO6S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Namemethyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate
SMILESCOC(=O)CN(C(=O)COc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19NO6S/c1-21-15(18)9-16(12-7-8-23(19,20)11-12)14(17)10-22-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyBGPUBTNRSNNXMW-UHFFFAOYSA-N
XLogP0.25
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate with MolForge

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Related Compounds

methyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-(2-phenoxyacetyl)amino]acetate
CID 39884568
methyl 3-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]propanoate
CID 43839701
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-2-phenoxyacetamide
CID 7461305
methyl 2-[[2-(2-chlorophenyl)acetyl]-(1,1-dioxothiolan-3-yl)amino]acetate
CID 43839661
N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
CID 3348138
N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(4-methylphenoxy)acetamide
CID 4653805
methyl 2-[acetyl-[(3R)-1,1-dioxothiolan-3-yl]amino]acetate
CID 39884592
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7986144
N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenoxyacetamide
CID 42278605
methyl 2-[(1,1-dioxothiolan-3-yl)-(3-methylbutanoyl)amino]acetate
CID 43839665
2-(4-anilinophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 40798409
N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenoxy)acetamide
CID 42887730

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate?
The IUPAC name of methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate (CID 43839656) is methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate is COC(=O)CN(C(=O)COc1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate?
The InChIKey is BGPUBTNRSNNXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-21-15(18)9-16(12-7-8-23(19,20)11-12)14(17)10-22-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate?
methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate has a molecular weight of 341.38 g/mol, XLogP of 0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 43839656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).