3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid

C11H21NO6 — CID 170368150

IUPAC3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
SMILESCN(CCOCCC(=O)O)CCOCCC(=O)O
InChIInChI=1S/C11H21NO6/c1-12(4-8-17-6-2-10(13)14)5-9-18-7-3-11(15)16/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyRBYXLYAHYVIBBG-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.10
Rot. Bonds12

About 3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid

3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid (PubChem CID 170368150) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
PubChem CID170368150
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
SMILESCN(CCOCCC(=O)O)CCOCCC(=O)O
InChIInChI=1S/C11H21NO6/c1-12(4-8-17-6-2-10(13)14)5-9-18-7-3-11(15)16/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyRBYXLYAHYVIBBG-UHFFFAOYSA-N
XLogP-0.10
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid
CID 122463166
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
6-[2-ethoxyethyl(methyl)amino]hexanoic acid
CID 81057778
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]propanoic acid
CID 170906120
4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 21421399
4-[2-[2-[2-[3-carboxypropanoyl(methyl)amino]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
CID 125495900
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
1-[2-[2-[methyl-[2-[2-(3-oxooctoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]octan-3-one
CID 163930166

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid (CID 170368150) is 3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid is CN(CCOCCC(=O)O)CCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid?
The InChIKey is RBYXLYAHYVIBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6/c1-12(4-8-17-6-2-10(13)14)5-9-18-7-3-11(15)16/h2-9H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid?
3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid has a molecular weight of 263.29 g/mol, XLogP of -0.10, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid is sourced from PubChem (CID 170368150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).