2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid

C11H24N2O2S — CID 107425399

IUPAC2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid
SMILESCCSCCCN(CCN(C)C)CC(=O)O
InChIInChI=1S/C11H24N2O2S/c1-4-16-9-5-6-13(10-11(14)15)8-7-12(2)3/h4-10H2,1-3H3,(H,14,15)
InChIKeyZBADPVLHLIAEAI-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.08
Rot. Bonds10

About 2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid (PubChem CID 107425399) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid
PubChem CID107425399
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid
SMILESCCSCCCN(CCN(C)C)CC(=O)O
InChIInChI=1S/C11H24N2O2S/c1-4-16-9-5-6-13(10-11(14)15)8-7-12(2)3/h4-10H2,1-3H3,(H,14,15)
InChIKeyZBADPVLHLIAEAI-UHFFFAOYSA-N
XLogP1.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
CID 107425114
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate
CID 115665504
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid
CID 107425241
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid
CID 107425641
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
Ca-DTPA
CID 86735184
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid (CID 107425399) is 2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid is CCSCCCN(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid?
The InChIKey is ZBADPVLHLIAEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-16-9-5-6-13(10-11(14)15)8-7-12(2)3/h4-10H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid has a molecular weight of 248.39 g/mol, XLogP of 1.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid is sourced from PubChem (CID 107425399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).