ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate

C13H25NO4 — CID 155570509

IUPACethyl 2-[butyl(ethoxycarbonyl)amino]butanoate
SMILESCCCCN(C(=O)OCC)C(CC)C(=O)OCC
InChIInChI=1S/C13H25NO4/c1-5-9-10-14(13(16)18-8-4)11(6-2)12(15)17-7-3/h11H,5-10H2,1-4H3
InChIKeyVQBRBZMEQGKOCV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds8

About ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate

ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate (PubChem CID 155570509) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[butyl(ethoxycarbonyl)amino]butanoate
PubChem CID155570509
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 2-[butyl(ethoxycarbonyl)amino]butanoate
SMILESCCCCN(C(=O)OCC)C(CC)C(=O)OCC
InChIInChI=1S/C13H25NO4/c1-5-9-10-14(13(16)18-8-4)11(6-2)12(15)17-7-3/h11H,5-10H2,1-4H3
InChIKeyVQBRBZMEQGKOCV-UHFFFAOYSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[butyl(ethoxycarbonyl)amino]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 2-[butyl(ethoxycarbonyl)amino]butanoate?
The IUPAC name of ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate (CID 155570509) is ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate?
The canonical SMILES for ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate is CCCCN(C(=O)OCC)C(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate?
The InChIKey is VQBRBZMEQGKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-9-10-14(13(16)18-8-4)11(6-2)12(15)17-7-3/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate?
ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate has a molecular weight of 259.35 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[butyl(ethoxycarbonyl)amino]butanoate is sourced from PubChem (CID 155570509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).