ethyl 2-(2-ethoxyethylamino)butanoate

C10H21NO3 — CID 64668942

IUPACethyl 2-(2-ethoxyethylamino)butanoate
SMILESCCOCCNC(CC)C(=O)OCC
InChIInChI=1S/C10H21NO3/c1-4-9(10(12)14-6-3)11-7-8-13-5-2/h9,11H,4-8H2,1-3H3
InChIKeyWMEGGMWNLGOQAC-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.95
Rot. Bonds8

About ethyl 2-(2-ethoxyethylamino)butanoate

ethyl 2-(2-ethoxyethylamino)butanoate (PubChem CID 64668942) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 2-(2-ethoxyethylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxyethylamino)butanoate
PubChem CID64668942
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl 2-(2-ethoxyethylamino)butanoate
SMILESCCOCCNC(CC)C(=O)OCC
InChIInChI=1S/C10H21NO3/c1-4-9(10(12)14-6-3)11-7-8-13-5-2/h9,11H,4-8H2,1-3H3
InChIKeyWMEGGMWNLGOQAC-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(2-ethoxyethylamino)butanoate 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-ethoxyethylamino)butanoic acid
CID 64668941
ethyl 2-(propylamino)butanoate
CID 60795885
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
ethyl 2-[(3-amino-3-oxopropyl)amino]butanoate
CID 64668159
ethyl 2-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64670192
ethyl 2-[(5-amino-5-oxopentyl)amino]butanoate
CID 106237052
2-(2-butoxyethylamino)butanoic acid
CID 64667576
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-(phosphanylamino)butanoate
CID 89105110
ethyl (2R)-2-[2-[[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]ethylamino]-3-sulfanylpropanoate;technetium-99
CID 23650814
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
ethyl 2-(3-methylbut-2-enylamino)butanoate
CID 106188404

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxyethylamino)butanoate?
The IUPAC name of ethyl 2-(2-ethoxyethylamino)butanoate (CID 64668942) is ethyl 2-(2-ethoxyethylamino)butanoate.
What is the SMILES notation for ethyl 2-(2-ethoxyethylamino)butanoate?
The canonical SMILES for ethyl 2-(2-ethoxyethylamino)butanoate is CCOCCNC(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxyethylamino)butanoate?
The InChIKey is WMEGGMWNLGOQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-9(10(12)14-6-3)11-7-8-13-5-2/h9,11H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(2-ethoxyethylamino)butanoate?
ethyl 2-(2-ethoxyethylamino)butanoate has a molecular weight of 203.28 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxyethylamino)butanoate is sourced from PubChem (CID 64668942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).