3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid

C10H22N2O3 — CID 82330232

IUPAC3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
SMILESCOCCN(CCC(=O)O)CCN(C)C
InChIInChI=1S/C10H22N2O3/c1-11(2)6-7-12(8-9-15-3)5-4-10(13)14/h4-9H2,1-3H3,(H,13,14)
InChIKeyZCZJISDSSNKNEY-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.03
Rot. Bonds9

About 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid

3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid (PubChem CID 82330232) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
PubChem CID82330232
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
SMILESCOCCN(CCC(=O)O)CCN(C)C
InChIInChI=1S/C10H22N2O3/c1-11(2)6-7-12(8-9-15-3)5-4-10(13)14/h4-9H2,1-3H3,(H,13,14)
InChIKeyZCZJISDSSNKNEY-UHFFFAOYSA-N
XLogP-0.03
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl(propyl)amino]propanoic acid
CID 82328080
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
3-[2-[bis(2-methoxyethyl)amino]ethylamino]propanoic acid
CID 166790089
3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid
CID 82330254
5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
CID 55137663
4-[bis(2-methoxyethyl)amino]butan-2-one
CID 60649279
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid
CID 82328793
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid (CID 82330232) is 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid is COCCN(CCC(=O)O)CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid?
The InChIKey is ZCZJISDSSNKNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-11(2)6-7-12(8-9-15-3)5-4-10(13)14/h4-9H2,1-3H3,(H,13,14).
What are the key properties of 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid?
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid has a molecular weight of 218.30 g/mol, XLogP of -0.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid is sourced from PubChem (CID 82330232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).