ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate

C13H25NO3 — CID 62027220

IUPACethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate
SMILESCCCCOCCN(CC(=O)OCC)C1CC1
InChIInChI=1S/C13H25NO3/c1-3-5-9-16-10-8-14(12-6-7-12)11-13(15)17-4-2/h12H,3-11H2,1-2H3
InChIKeyMKEATYJLLHLFIT-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.83
Rot. Bonds10

About ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate

ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate (PubChem CID 62027220) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate
PubChem CID62027220
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate
SMILESCCCCOCCN(CC(=O)OCC)C1CC1
InChIInChI=1S/C13H25NO3/c1-3-5-9-16-10-8-14(12-6-7-12)11-13(15)17-4-2/h12H,3-11H2,1-2H3
InChIKeyMKEATYJLLHLFIT-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate 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-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid
CID 104564790
butyl 2-[2-cyanoethyl(cyclopropyl)amino]acetate
CID 55206978
ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate
CID 81089815
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173
ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate
CID 62027795
ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate
CID 62025910
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
CID 54940545
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
butyl 2-[bis(2-ethoxyethyl)amino]acetate
CID 82951802
ethyl 2-butoxyacetate
CID 14419651
ethyl 2-[ethyl(piperidin-4-yl)amino]acetate
CID 60805794

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate?
The IUPAC name of ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate (CID 62027220) is ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate is CCCCOCCN(CC(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate?
The InChIKey is MKEATYJLLHLFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-5-9-16-10-8-14(12-6-7-12)11-13(15)17-4-2/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate?
ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate has a molecular weight of 243.35 g/mol, XLogP of 1.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate is sourced from PubChem (CID 62027220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).