2-(2-ethoxyethylamino)butanoic acid

C8H17NO3 — CID 64668941

IUPAC2-(2-ethoxyethylamino)butanoic acid
SMILESCCOCCNC(CC)C(=O)O
InChIInChI=1S/C8H17NO3/c1-3-7(8(10)11)9-5-6-12-4-2/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyAFYJWOFRXXBOQS-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.48
Rot. Bonds7

About 2-(2-ethoxyethylamino)butanoic acid

2-(2-ethoxyethylamino)butanoic acid (PubChem CID 64668941) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2-ethoxyethylamino)butanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethylamino)butanoic acid
PubChem CID64668941
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(2-ethoxyethylamino)butanoic acid
SMILESCCOCCNC(CC)C(=O)O
InChIInChI=1S/C8H17NO3/c1-3-7(8(10)11)9-5-6-12-4-2/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyAFYJWOFRXXBOQS-UHFFFAOYSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylamino)butanoic acid?
The IUPAC name of 2-(2-ethoxyethylamino)butanoic acid (CID 64668941) is 2-(2-ethoxyethylamino)butanoic acid.
What is the SMILES notation for 2-(2-ethoxyethylamino)butanoic acid?
The canonical SMILES for 2-(2-ethoxyethylamino)butanoic acid is CCOCCNC(CC)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethylamino)butanoic acid?
The InChIKey is AFYJWOFRXXBOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-7(8(10)11)9-5-6-12-4-2/h7,9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-ethoxyethylamino)butanoic acid?
2-(2-ethoxyethylamino)butanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylamino)butanoic acid is sourced from PubChem (CID 64668941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).