2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate

C10H20N2O5S — CID 87628621

IUPAC2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate
SMILESNCC(=O)OCCOCCOC(=O)CNCCS
InChIInChI=1S/C10H20N2O5S/c11-7-9(13)16-4-2-15-3-5-17-10(14)8-12-1-6-18/h12,18H,1-8,11H2
InChIKeyBRUPMTWWVUTABC-UHFFFAOYSA-N
MW280.35 g/mol
LogP-1.43
Rot. Bonds11

About 2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate

2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate (PubChem CID 87628621) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate.

Molecular Properties

Compound Name2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate
PubChem CID87628621
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate
SMILESNCC(=O)OCCOCCOC(=O)CNCCS
InChIInChI=1S/C10H20N2O5S/c11-7-9(13)16-4-2-15-3-5-17-10(14)8-12-1-6-18/h12,18H,1-8,11H2
InChIKeyBRUPMTWWVUTABC-UHFFFAOYSA-N
XLogP-1.43
TPSA99.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)ethyl 2-(2-methoxyethylamino)acetate
CID 104563269
2-[[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)acetate
CID 169059588
2-methoxyethyl 2-(2-methoxyethylamino)acetate
CID 79271319
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate
CID 175685020
2-butoxyethyl 2-aminoacetate
CID 61304060
2-[2-(4-sulfanylbutanoyloxy)ethoxy]ethyl 4-sulfanylbutanoate
CID 87477903
2-[2-[2,2-bis[2-[2-(2-aminoacetyl)oxyethoxy]ethoxymethyl]-3-[2-[2-[(2-aminoacetyl)oxymethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethyl 2-aminoacetate
CID 153281101
2-(2-methoxyethoxy)ethyl 2-(methylamino)acetate
CID 104563542
2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
CID 79258201
ethyl 2-(5-sulfanylpentylamino)acetate
CID 142399434
2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate
CID 23187593
propyl 2-(butylamino)acetate
CID 118604269

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate?
The IUPAC name of 2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate (CID 87628621) is 2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate.
What is the SMILES notation for 2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate?
The canonical SMILES for 2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate is NCC(=O)OCCOCCOC(=O)CNCCS.
What is the InChIKey of 2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate?
The InChIKey is BRUPMTWWVUTABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c11-7-9(13)16-4-2-15-3-5-17-10(14)8-12-1-6-18/h12,18H,1-8,11H2.
What are the key properties of 2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate?
2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate has a molecular weight of 280.35 g/mol, XLogP of -1.43, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-sulfanylethylamino)acetyl]oxyethoxy]ethyl 2-aminoacetate is sourced from PubChem (CID 87628621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).