diethyl 2-(ethylamino)butanedioate

C10H19NO4 — CID 54398239

IUPACdiethyl 2-(ethylamino)butanedioate
SMILESCCNC(CC(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-4-11-8(10(13)15-6-3)7-9(12)14-5-2/h8,11H,4-7H2,1-3H3
InChIKeyVLNYKCFUFAWIDW-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.48
Rot. Bonds7

About diethyl 2-(ethylamino)butanedioate

diethyl 2-(ethylamino)butanedioate (PubChem CID 54398239) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is diethyl 2-(ethylamino)butanedioate.

Molecular Properties

Compound Namediethyl 2-(ethylamino)butanedioate
PubChem CID54398239
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namediethyl 2-(ethylamino)butanedioate
SMILESCCNC(CC(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-4-11-8(10(13)15-6-3)7-9(12)14-5-2/h8,11H,4-7H2,1-3H3
InChIKeyVLNYKCFUFAWIDW-UHFFFAOYSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(ethylamino)butanedioate?
The IUPAC name of diethyl 2-(ethylamino)butanedioate (CID 54398239) is diethyl 2-(ethylamino)butanedioate.
What is the SMILES notation for diethyl 2-(ethylamino)butanedioate?
The canonical SMILES for diethyl 2-(ethylamino)butanedioate is CCNC(CC(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(ethylamino)butanedioate?
The InChIKey is VLNYKCFUFAWIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-11-8(10(13)15-6-3)7-9(12)14-5-2/h8,11H,4-7H2,1-3H3.
What are the key properties of diethyl 2-(ethylamino)butanedioate?
diethyl 2-(ethylamino)butanedioate has a molecular weight of 217.26 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(ethylamino)butanedioate is sourced from PubChem (CID 54398239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).