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

C10H21NO5 — CID 104565225

IUPAC2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
SMILESCCNC(COCCOCCOC)C(=O)O
InChIInChI=1S/C10H21NO5/c1-3-11-9(10(12)13)8-16-7-6-15-5-4-14-2/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyWCHTUCHRQTVBAP-UHFFFAOYSA-N
MW235.28 g/mol
LogP-0.27
Rot. Bonds11

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

2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid (PubChem CID 104565225) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
PubChem CID104565225
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
SMILESCCNC(COCCOCCOC)C(=O)O
InChIInChI=1S/C10H21NO5/c1-3-11-9(10(12)13)8-16-7-6-15-5-4-14-2/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyWCHTUCHRQTVBAP-UHFFFAOYSA-N
XLogP-0.27
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
3-(2,2-difluoroethoxy)-2-(ethylamino)propanoic acid
CID 82005662
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
2-(ethylamino)-4-(2-methoxyethoxy)butanamide
CID 63041176
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
CID 140579321
(2S)-2-(methylamino)-3-propoxypropanoic acid
CID 142490785
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid?
The IUPAC name of 2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid (CID 104565225) is 2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid.
What is the SMILES notation for 2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid?
The canonical SMILES for 2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid is CCNC(COCCOCCOC)C(=O)O.
What is the InChIKey of 2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid?
The InChIKey is WCHTUCHRQTVBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-3-11-9(10(12)13)8-16-7-6-15-5-4-14-2/h9,11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid?
2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid has a molecular weight of 235.28 g/mol, XLogP of -0.27, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid is sourced from PubChem (CID 104565225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).