ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate

C14H29NO5 — CID 104563527

IUPACethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
SMILESCCCCOCCOCCOCCC(N)C(=O)OCC
InChIInChI=1S/C14H29NO5/c1-3-5-7-17-9-11-19-12-10-18-8-6-13(15)14(16)20-4-2/h13H,3-12,15H2,1-2H3
InChIKeyAUFDHYLEICKOMF-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.12
Rot. Bonds14

About ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate

ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate (PubChem CID 104563527) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
PubChem CID104563527
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Nameethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
SMILESCCCCOCCOCCOCCC(N)C(=O)OCC
InChIInChI=1S/C14H29NO5/c1-3-5-7-17-9-11-19-12-10-18-8-6-13(15)14(16)20-4-2/h13H,3-12,15H2,1-2H3
InChIKeyAUFDHYLEICKOMF-UHFFFAOYSA-N
XLogP1.12
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]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-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
ethyl (2S)-2-amino-4-ethoxybutanoate
CID 22839428
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate
CID 104563663
ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate
CID 63038922
methyl 2-amino-4-heptoxybutanoate
CID 63039834
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
2-butoxyethyl (2R)-2-amino-3-sulfanylpropanoate
CID 107774143
ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775
ethyl 2-amino-4-(3-methoxy-3-methylbutoxy)butanoate
CID 106666825
ethyl 2-amino-4-(2-phenoxyethoxy)butanoate
CID 63039473
ethyl 3-(2-butoxyethoxy)-2-methylpropanoate
CID 115002806

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate?
The IUPAC name of ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate (CID 104563527) is ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate?
The canonical SMILES for ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate is CCCCOCCOCCOCCC(N)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate?
The InChIKey is AUFDHYLEICKOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-3-5-7-17-9-11-19-12-10-18-8-6-13(15)14(16)20-4-2/h13H,3-12,15H2,1-2H3.
What are the key properties of ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate?
ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate has a molecular weight of 291.39 g/mol, XLogP of 1.12, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate is sourced from PubChem (CID 104563527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).