3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid

C11H23NO6 — CID 104565015

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
SMILESCNC(COCCOCCOCCOC)C(=O)O
InChIInChI=1S/C11H23NO6/c1-12-10(11(13)14)9-18-8-7-17-6-5-16-4-3-15-2/h10,12H,3-9H2,1-2H3,(H,13,14)
InChIKeyMLLKOYTYUKXFNO-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.64
Rot. Bonds13

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid (PubChem CID 104565015) has the molecular formula C11H23NO6 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
PubChem CID104565015
Molecular FormulaC11H23NO6
Molecular Weight265.31 g/mol
Exact Mass265.15
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
SMILESCNC(COCCOCCOCCOC)C(=O)O
InChIInChI=1S/C11H23NO6/c1-12-10(11(13)14)9-18-8-7-17-6-5-16-4-3-15-2/h10,12H,3-9H2,1-2H3,(H,13,14)
InChIKeyMLLKOYTYUKXFNO-UHFFFAOYSA-N
XLogP-0.64
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methylamino)-3-propoxypropanoic acid
CID 142490785
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
CID 104565225
(2R)-3-butoxy-2-(methylamino)propanoic acid
CID 89283521
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 106666683
(2S)-3-(3-hydroxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 142490853
(2S)-3-[(2S)-2-hydroxypropoxy]-2-(methylamino)propanoic acid;hydrochloride
CID 170898246
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
CID 140579321
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylpropan-2-amine
CID 104560632
1-[2-(2-methoxyethoxy)ethoxy]-N-methylpropan-2-amine
CID 104560820
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid (CID 104565015) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid is CNC(COCCOCCOCCOC)C(=O)O.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid?
The InChIKey is MLLKOYTYUKXFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO6/c1-12-10(11(13)14)9-18-8-7-17-6-5-16-4-3-15-2/h10,12H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of -0.64, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid is sourced from PubChem (CID 104565015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).