ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate

C12H25NO4 — CID 103605712

IUPACethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
SMILESCCOC(=O)CCCNCCCOCCOC
InChIInChI=1S/C12H25NO4/c1-3-17-12(14)6-4-7-13-8-5-9-16-11-10-15-2/h13H,3-11H2,1-2H3
InChIKeyVPRIDZVSQYPQBS-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.97
Rot. Bonds12

About ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate

ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate (PubChem CID 103605712) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
PubChem CID103605712
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nameethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
SMILESCCOC(=O)CCCNCCCOCCOC
InChIInChI=1S/C12H25NO4/c1-3-17-12(14)6-4-7-13-8-5-9-16-11-10-15-2/h13H,3-11H2,1-2H3
InChIKeyVPRIDZVSQYPQBS-UHFFFAOYSA-N
XLogP0.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[3-(2-methoxyethoxy)propylamino]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

ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
CID 103176658
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
3-[(4-ethoxy-4-oxobutyl)amino]propanoic acid
CID 64579324
ethyl 4-(4-hydroxybutylamino)butanoate
CID 64580289
ethyl 5-methoxypentanoate
CID 21476247
ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate
CID 10924821
ethyl 4-[2-(2-heptoxyethoxy)ethoxy]butanoate
CID 121469676
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
ethyl 6-(2-but-3-enoxyethylamino)hexanoate
CID 106401753
methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate
CID 103252912

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate?
The IUPAC name of ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate (CID 103605712) is ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate.
What is the SMILES notation for ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate?
The canonical SMILES for ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate is CCOC(=O)CCCNCCCOCCOC.
What is the InChIKey of ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate?
The InChIKey is VPRIDZVSQYPQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-3-17-12(14)6-4-7-13-8-5-9-16-11-10-15-2/h13H,3-11H2,1-2H3.
What are the key properties of ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate?
ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate has a molecular weight of 247.33 g/mol, XLogP of 0.97, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate is sourced from PubChem (CID 103605712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).