3-[2-ethoxyethyl(methyl)amino]propanoic acid

C8H17NO3 — CID 60988072

IUPAC3-[2-ethoxyethyl(methyl)amino]propanoic acid
SMILESCCOCCN(C)CCC(=O)O
InChIInChI=1S/C8H17NO3/c1-3-12-7-6-9(2)5-4-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyUADLVIFHLNATBY-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.43
Rot. Bonds7

About 3-[2-ethoxyethyl(methyl)amino]propanoic acid

3-[2-ethoxyethyl(methyl)amino]propanoic acid (PubChem CID 60988072) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-ethoxyethyl(methyl)amino]propanoic acid
PubChem CID60988072
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name3-[2-ethoxyethyl(methyl)amino]propanoic acid
SMILESCCOCCN(C)CCC(=O)O
InChIInChI=1S/C8H17NO3/c1-3-12-7-6-9(2)5-4-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeyUADLVIFHLNATBY-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-ethoxyethyl(methyl)amino]hexanoic acid
CID 81057778
3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
CID 170368150
3-[cyclopropyl(2-ethoxyethyl)amino]propanoic acid
CID 60838703
3-[bis(2-ethoxyethyl)sulfamoyl-methylamino]propanoic acid
CID 82960749
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 81061462
1-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057911
3-[3-ethoxypropyl(ethyl)amino]propanoic acid
CID 65180873
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 81057369
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
CID 82965858
ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid
CID 143432854

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[2-ethoxyethyl(methyl)amino]propanoic acid (CID 60988072) is 3-[2-ethoxyethyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-ethoxyethyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[2-ethoxyethyl(methyl)amino]propanoic acid is CCOCCN(C)CCC(=O)O.
What is the InChIKey of 3-[2-ethoxyethyl(methyl)amino]propanoic acid?
The InChIKey is UADLVIFHLNATBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-12-7-6-9(2)5-4-8(10)11/h3-7H2,1-2H3,(H,10,11).
What are the key properties of 3-[2-ethoxyethyl(methyl)amino]propanoic acid?
3-[2-ethoxyethyl(methyl)amino]propanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(methyl)amino]propanoic acid is sourced from PubChem (CID 60988072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).