3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid

C14H29NO5 — CID 104564893

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid
SMILESCOCCOCCOCCNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H29NO5/c1-13(2,12(16)17)14(3,4)15-6-7-19-10-11-20-9-8-18-5/h15H,6-11H2,1-5H3,(H,16,17)
InChIKeyVWOVHLOEAXCLDS-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.14
Rot. Bonds12

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid

3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid (PubChem CID 104564893) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid
PubChem CID104564893
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid
SMILESCOCCOCCOCCNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H29NO5/c1-13(2,12(16)17)14(3,4)15-6-7-19-10-11-20-9-8-18-5/h15H,6-11H2,1-5H3,(H,16,17)
InChIKeyVWOVHLOEAXCLDS-UHFFFAOYSA-N
XLogP1.14
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3-trimethyl-3-[2-(2-methylpropoxy)ethylamino]butanoic acid
CID 106454728
2-[2-(2-methoxyethoxy)ethylamino]-2-methylbutanoic acid
CID 78977075
2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 114999552
2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid
CID 103410896
2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
CID 103181366
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 157213065
2-hydroxy-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-methylpropanoic acid
CID 66175532
2-[2-(2-methoxyethoxy)ethylamino]acetic acid
CID 58383949
3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid
CID 65265735
3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid
CID 79792013
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hydroxylamine
CID 144965473

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid (CID 104564893) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid is COCCOCCOCCNC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid?
The InChIKey is VWOVHLOEAXCLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-13(2,12(16)17)14(3,4)15-6-7-19-10-11-20-9-8-18-5/h15H,6-11H2,1-5H3,(H,16,17).
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid has a molecular weight of 291.39 g/mol, XLogP of 1.14, 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-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 104564893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).