ethyl 4-(ethylamino)butanoate

C8H17NO2 — CID 13171987

IUPACethyl 4-(ethylamino)butanoate
SMILESCCNCCCC(=O)OCC
InChIInChI=1S/C8H17NO2/c1-3-9-7-5-6-8(10)11-4-2/h9H,3-7H2,1-2H3
InChIKeySZZGAYYWSNYVQI-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds6

About ethyl 4-(ethylamino)butanoate

ethyl 4-(ethylamino)butanoate (PubChem CID 13171987) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl 4-(ethylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(ethylamino)butanoate
PubChem CID13171987
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl 4-(ethylamino)butanoate
SMILESCCNCCCC(=O)OCC
InChIInChI=1S/C8H17NO2/c1-3-9-7-5-6-8(10)11-4-2/h9H,3-7H2,1-2H3
InChIKeySZZGAYYWSNYVQI-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-(ethylamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylamino)butanoate?
The IUPAC name of ethyl 4-(ethylamino)butanoate (CID 13171987) is ethyl 4-(ethylamino)butanoate.
What is the SMILES notation for ethyl 4-(ethylamino)butanoate?
The canonical SMILES for ethyl 4-(ethylamino)butanoate is CCNCCCC(=O)OCC.
What is the InChIKey of ethyl 4-(ethylamino)butanoate?
The InChIKey is SZZGAYYWSNYVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-9-7-5-6-8(10)11-4-2/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(ethylamino)butanoate?
ethyl 4-(ethylamino)butanoate has a molecular weight of 159.23 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylamino)butanoate is sourced from PubChem (CID 13171987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).