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

C10H19NO4 — CID 10706072

IUPACethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)OCC
InChIInChI=1S/C10H19NO4/c1-3-14-9(12)6-5-7-11-8-10(13)15-4-2/h11H,3-8H2,1-2H3
InChIKeyATJAIVKHTGMHPH-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.48
Rot. Bonds8

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

ethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate (PubChem CID 10706072) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate
PubChem CID10706072
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)OCC
InChIInChI=1S/C10H19NO4/c1-3-14-9(12)6-5-7-11-8-10(13)15-4-2/h11H,3-8H2,1-2H3
InChIKeyATJAIVKHTGMHPH-UHFFFAOYSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate?
The IUPAC name of ethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate (CID 10706072) is ethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate is CCOC(=O)CCCNCC(=O)OCC.
What is the InChIKey of ethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate?
The InChIKey is ATJAIVKHTGMHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-14-9(12)6-5-7-11-8-10(13)15-4-2/h11H,3-8H2,1-2H3.
What are the key properties of ethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate?
ethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate has a molecular weight of 217.26 g/mol, XLogP of 0.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-ethoxy-2-oxoethyl)amino]butanoate is sourced from PubChem (CID 10706072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).