4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid

C10H19NO5S — CID 139251521

IUPAC4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid
SMILESO=C(O)CCCOCCOCCNC(=O)CS
InChIInChI=1S/C10H19NO5S/c12-9(8-17)11-3-5-16-7-6-15-4-1-2-10(13)14/h17H,1-8H2,(H,11,12)(H,13,14)
InChIKeyLFNDQUNKDIIAIM-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.07
Rot. Bonds11

About 4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid

4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid (PubChem CID 139251521) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid.

Molecular Properties

Compound Name4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid
PubChem CID139251521
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid
SMILESO=C(O)CCCOCCOCCNC(=O)CS
InChIInChI=1S/C10H19NO5S/c12-9(8-17)11-3-5-16-7-6-15-4-1-2-10(13)14/h17H,1-8H2,(H,11,12)(H,13,14)
InChIKeyLFNDQUNKDIIAIM-UHFFFAOYSA-N
XLogP-0.07
TPSA84.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-[2-[2-[2-[3-[3-[3-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 123748562
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
20-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-20-oxoicosanoic acid
CID 167312677
16-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid
CID 167312728
5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoic acid
CID 144843622
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
16-oxo-16-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethylamino]hexadecanoic acid
CID 173042619
4-[2-[2-[[5-[2-[2-(3-carboxypropoxy)ethoxy]ethylamino]-3-[3-(2-methoxyethoxy)propanoylamino]-5-oxopentanoyl]amino]ethoxy]ethoxy]butanoic acid
CID 88854640
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130440881
6-(2-but-3-enoxyethylamino)-6-oxohexanoic acid
CID 106394786

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid?
The IUPAC name of 4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid (CID 139251521) is 4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid.
What is the SMILES notation for 4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid?
The canonical SMILES for 4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid is O=C(O)CCCOCCOCCNC(=O)CS.
What is the InChIKey of 4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid?
The InChIKey is LFNDQUNKDIIAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c12-9(8-17)11-3-5-16-7-6-15-4-1-2-10(13)14/h17H,1-8H2,(H,11,12)(H,13,14).
What are the key properties of 4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid?
4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid has a molecular weight of 265.33 g/mol, XLogP of -0.07, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]butanoic acid is sourced from PubChem (CID 139251521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).