ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate

C11H22N2O3 — CID 112502188

IUPACethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC(C)N(CC)CC
InChIInChI=1S/C11H22N2O3/c1-5-13(6-2)9(4)8-12-10(14)11(15)16-7-3/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyPQRIREUPQUVGNL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds6

About ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate

ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate (PubChem CID 112502188) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate
PubChem CID112502188
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC(C)N(CC)CC
InChIInChI=1S/C11H22N2O3/c1-5-13(6-2)9(4)8-12-10(14)11(15)16-7-3/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyPQRIREUPQUVGNL-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-propan-2-ylpropanamide
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N-(N-L-Alanyl-L-alanyl)-O-methyl-L-alanine monoacetate
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Oxalic acid, monoamide, n-butyl-, ethyl ester
CID 3412787
Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate
CID 366851
Ethyl {[2-(morpholin-4-YL)ethyl]carbamoyl}formate
CID 5152769
methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate
CID 7663252
l-Alanyl-l-alanyl-l-alanine methyl ester
CID 6097192
l-Alanylglycine ethyl ester
CID 10725907
Diethyl 1,2-ethylenedioxamate
CID 12029385

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate (CID 112502188) is ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate is CCOC(=O)C(=O)NCC(C)N(CC)CC.
What is the InChIKey of ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate?
The InChIKey is PQRIREUPQUVGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-13(6-2)9(4)8-12-10(14)11(15)16-7-3/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate?
ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate is sourced from PubChem (CID 112502188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).