ethyl 2-(ethylamino)-2-oxoacetate

C6H11NO3 — CID 3413435

IUPACethyl 2-(ethylamino)-2-oxoacetate
SMILESCCNC(=O)C(=O)OCC
InChIInChI=1S/C6H11NO3/c1-3-7-5(8)6(9)10-4-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyLJVOAECROPQPNP-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.31
Rot. Bonds2

About ethyl 2-(ethylamino)-2-oxoacetate

ethyl 2-(ethylamino)-2-oxoacetate (PubChem CID 3413435) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-oxoacetate
PubChem CID3413435
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl 2-(ethylamino)-2-oxoacetate
SMILESCCNC(=O)C(=O)OCC
InChIInChI=1S/C6H11NO3/c1-3-7-5(8)6(9)10-4-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyLJVOAECROPQPNP-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyloxalylglycine
CID 560326
Ethyl acetamidoacetate
CID 74702
Methyl 2-acetamidoacetate
CID 517966
2-Acetamidoethyl acetate
CID 85319
Glycine, N-formyl-, ethyl ester
CID 76615
Ethyl N,N-diethyloxamate
CID 138489
Ethyl 2-(2-aminoacetamido)acetate hydrochloride
CID 2827263
N-Ethoxyacetylglycine
CID 134082
Ethyl 2-(methylamino)-2-oxoacetate
CID 3413434
Ethyl glycylglycinate
CID 124706
[(2-Methoxyethyl)carbamoyl]formic acid
CID 16112027
ethyl N-acetyl-l-alaninate
CID 11805045

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-oxoacetate?
The IUPAC name of ethyl 2-(ethylamino)-2-oxoacetate (CID 3413435) is ethyl 2-(ethylamino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(ethylamino)-2-oxoacetate is CCNC(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-2-oxoacetate?
The InChIKey is LJVOAECROPQPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-7-5(8)6(9)10-4-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of ethyl 2-(ethylamino)-2-oxoacetate?
ethyl 2-(ethylamino)-2-oxoacetate has a molecular weight of 145.16 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-oxoacetate is sourced from PubChem (CID 3413435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).