ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate

C9H15NO5 — CID 14985599

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
SMILESCCOC(=O)CN(C)C(=O)C(=O)OCC
InChIInChI=1S/C9H15NO5/c1-4-14-7(11)6-10(3)8(12)9(13)15-5-2/h4-6H2,1-3H3
InChIKeyXBIQPCJRKZTWAU-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.43
Rot. Bonds4

About ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate

ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate (PubChem CID 14985599) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
PubChem CID14985599
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
SMILESCCOC(=O)CN(C)C(=O)C(=O)OCC
InChIInChI=1S/C9H15NO5/c1-4-14-7(11)6-10(3)8(12)9(13)15-5-2/h4-6H2,1-3H3
InChIKeyXBIQPCJRKZTWAU-UHFFFAOYSA-N
XLogP-0.43
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-Bis(acetoxyethyl)acetamide
CID 21430
Ethyl N,N-dimethyloxamate
CID 85553
Ethyl N,N-diethyloxamate
CID 138489
N(2-Acetoxyethyl)-N-ethylacetamide
CID 27397
Glycine, N-(chlorocarbonyl)-N-(2-ethoxy-2-oxoethyl)-, ethyl ester
CID 16203518
(Acetyl-methoxycarbonylmethyl-amino)-acetic acid methyl ester
CID 224229
Ethyl n-(ethoxycarbonyl)-n-methylglycinate
CID 265106
2-(3-Oxomorpholin-4-yl)acetic acid
CID 50990566
Ethyl 2-oxo-2-(n,n-dipropylamino)acetate
CID 300609
Ethyl oxo(pyrrolidin-1-yl)acetate
CID 3413436
Ethyl alpha-oxo-4-morpholineacetate
CID 3414011
Acetoxyacetic acid, morpholide
CID 531940

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate (CID 14985599) is ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate is CCOC(=O)CN(C)C(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate?
The InChIKey is XBIQPCJRKZTWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-4-14-7(11)6-10(3)8(12)9(13)15-5-2/h4-6H2,1-3H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate?
ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate has a molecular weight of 217.22 g/mol, XLogP of -0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate is sourced from PubChem (CID 14985599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).