2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid

C12H25NO4 — CID 114999552

IUPAC2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
SMILESCOCCOCCNC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C12H25NO4/c1-10(2)9-12(3,11(14)15)13-5-6-17-8-7-16-4/h10,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyPQEKLYPBZFZXTJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.13
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid

2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid (PubChem CID 114999552) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
PubChem CID114999552
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
SMILESCOCCOCCNC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C12H25NO4/c1-10(2)9-12(3,11(14)15)13-5-6-17-8-7-16-4/h10,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyPQEKLYPBZFZXTJ-UHFFFAOYSA-N
XLogP1.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic 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-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 115000691
2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid
CID 114989242
2-[2-(2-methoxyethoxy)ethylamino]-2-methylbutanoic acid
CID 78977075
2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
CID 103181366
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid
CID 104564893
2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
CID 115002535
2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
CID 61001781
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
(2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide
CID 95636090
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid (CID 114999552) is 2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid is COCCOCCNC(C)(CC(C)C)C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid?
The InChIKey is PQEKLYPBZFZXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-10(2)9-12(3,11(14)15)13-5-6-17-8-7-16-4/h10,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid?
2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid has a molecular weight of 247.33 g/mol, XLogP of 1.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid is sourced from PubChem (CID 114999552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).