ethyl 2-acetamido-2-(ethylamino)acetate

C8H16N2O3 — CID 14860688

IUPACethyl 2-acetamido-2-(ethylamino)acetate
SMILESCCNC(NC(C)=O)C(=O)OCC
InChIInChI=1S/C8H16N2O3/c1-4-9-7(10-6(3)11)8(12)13-5-2/h7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyYZGLWARQMNSPBY-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.38
Rot. Bonds5

About ethyl 2-acetamido-2-(ethylamino)acetate

ethyl 2-acetamido-2-(ethylamino)acetate (PubChem CID 14860688) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl 2-acetamido-2-(ethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-(ethylamino)acetate
PubChem CID14860688
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl 2-acetamido-2-(ethylamino)acetate
SMILESCCNC(NC(C)=O)C(=O)OCC
InChIInChI=1S/C8H16N2O3/c1-4-9-7(10-6(3)11)8(12)13-5-2/h7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyYZGLWARQMNSPBY-UHFFFAOYSA-N
XLogP-0.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-(ethylamino)acetate?
The IUPAC name of ethyl 2-acetamido-2-(ethylamino)acetate (CID 14860688) is ethyl 2-acetamido-2-(ethylamino)acetate.
What is the SMILES notation for ethyl 2-acetamido-2-(ethylamino)acetate?
The canonical SMILES for ethyl 2-acetamido-2-(ethylamino)acetate is CCNC(NC(C)=O)C(=O)OCC.
What is the InChIKey of ethyl 2-acetamido-2-(ethylamino)acetate?
The InChIKey is YZGLWARQMNSPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-9-7(10-6(3)11)8(12)13-5-2/h7,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of ethyl 2-acetamido-2-(ethylamino)acetate?
ethyl 2-acetamido-2-(ethylamino)acetate has a molecular weight of 188.23 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-(ethylamino)acetate is sourced from PubChem (CID 14860688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).