2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid

C10H21NO4 — CID 103410896

IUPAC2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid
SMILESCOCCOCCCNC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-10(2,9(12)13)11-5-4-6-15-8-7-14-3/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyCOQQXNBFFZBNDU-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.49
Rot. Bonds9

About 2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid

2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid (PubChem CID 103410896) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid
PubChem CID103410896
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid
SMILESCOCCOCCCNC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-10(2,9(12)13)11-5-4-6-15-8-7-14-3/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyCOQQXNBFFZBNDU-UHFFFAOYSA-N
XLogP0.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid
CID 104564893
2-(3-fluoropropylamino)-2-methylpropanoic acid
CID 81114836
2-[2-(2-methoxyethoxy)ethylamino]-2-methylbutanoic acid
CID 78977075
3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-2-amine
CID 103413183
2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
CID 103181366
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
2-methyl-2-(nonylamino)propanoic acid
CID 65263943

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid (CID 103410896) is 2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid is COCCOCCCNC(C)(C)C(=O)O.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid?
The InChIKey is COQQXNBFFZBNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2,9(12)13)11-5-4-6-15-8-7-14-3/h11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid?
2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid is sourced from PubChem (CID 103410896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).