2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid

C12H25NO4 — CID 63692704

IUPAC2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid
SMILESCCOCCN(CC)CCC(OCC)C(=O)O
InChIInChI=1S/C12H25NO4/c1-4-13(9-10-16-5-2)8-7-11(12(14)15)17-6-3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyQYNMVJQTNXMWQL-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.22
Rot. Bonds11

About 2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid

2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid (PubChem CID 63692704) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid
PubChem CID63692704
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid
SMILESCCOCCN(CC)CCC(OCC)C(=O)O
InChIInChI=1S/C12H25NO4/c1-4-13(9-10-16-5-2)8-7-11(12(14)15)17-6-3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyQYNMVJQTNXMWQL-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.22
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

4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
CID 63698274
4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
CID 63068638
2-ethoxy-4-(2-methylpropoxy)butanoic acid
CID 63074828
2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
CID 63072762
4-bromo-2-ethoxybutanoic acid
CID 174871505
4-(dibenzylamino)-2-ethoxybutanoic acid
CID 130158595
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
4-[butyl(methyl)amino]-2-ethoxybutanoic acid
CID 63069285
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid
CID 103191984
2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid
CID 63068079

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid?
The IUPAC name of 2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid (CID 63692704) is 2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid?
The canonical SMILES for 2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid is CCOCCN(CC)CCC(OCC)C(=O)O.
What is the InChIKey of 2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid?
The InChIKey is QYNMVJQTNXMWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-4-13(9-10-16-5-2)8-7-11(12(14)15)17-6-3/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid?
2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid has a molecular weight of 247.33 g/mol, XLogP of 1.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 63692704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).