2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid

C11H23NO4 — CID 103181366

IUPAC2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
SMILESCCC(C)(NCCOCCCOC)C(=O)O
InChIInChI=1S/C11H23NO4/c1-4-11(2,10(13)14)12-6-9-16-8-5-7-15-3/h12H,4-9H2,1-3H3,(H,13,14)
InChIKeyATMOEFLZRSZWHP-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.88
Rot. Bonds10

About 2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid

2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid (PubChem CID 103181366) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
PubChem CID103181366
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
SMILESCCC(C)(NCCOCCCOC)C(=O)O
InChIInChI=1S/C11H23NO4/c1-4-11(2,10(13)14)12-6-9-16-8-5-7-15-3/h12H,4-9H2,1-3H3,(H,13,14)
InChIKeyATMOEFLZRSZWHP-UHFFFAOYSA-N
XLogP0.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic 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-methoxyethoxy)ethylamino]-2-methylbutanoic acid
CID 78977075
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 114999552
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid
CID 103410896
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid
CID 104564893
3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanoic acid
CID 63855971
1-methoxy-N-[2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 103179461
2-(3-fluoropropylamino)-2-methylbutanoic acid
CID 81114600
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid (CID 103181366) is 2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid is CCC(C)(NCCOCCCOC)C(=O)O.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid?
The InChIKey is ATMOEFLZRSZWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-4-11(2,10(13)14)12-6-9-16-8-5-7-15-3/h12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid?
2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid has a molecular weight of 233.31 g/mol, XLogP of 0.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid is sourced from PubChem (CID 103181366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).