ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

C10H18N2O5 — CID 6421867

IUPACethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)CN(C)C(=O)OC
InChIInChI=1S/C10H18N2O5/c1-5-17-9(14)7-11(2)8(13)6-12(3)10(15)16-4/h5-7H2,1-4H3
InChIKeyGOKMEMQQHGDZKX-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.29
Rot. Bonds5

About ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (PubChem CID 6421867) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
PubChem CID6421867
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Nameethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)CN(C)C(=O)OC
InChIInChI=1S/C10H18N2O5/c1-5-17-9(14)7-11(2)8(13)6-12(3)10(15)16-4/h5-7H2,1-4H3
InChIKeyGOKMEMQQHGDZKX-UHFFFAOYSA-N
XLogP-0.29
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Bis(acetoxyethyl)acetamide
CID 21430
4-Acetyl-1-(2-ethoxy-2-oxoethyl)-1-methylpiperazin-1-ium
CID 16193173
(Acetyl-methoxycarbonylmethyl-amino)-acetic acid methyl ester
CID 224229
Ethyl 2-{[2-(dimethylamino)ethyl](methyl)amino}acetate
CID 62013715
Ethyl (4-ethyl-1-piperazinyl)(oxo)acetate
CID 2166906
2-[[2-[2-Acetyloxyethyl-[2-[2-acetyloxyethyl-[2-[bis(carboxymethyl)amino]-2-oxoethyl]amino]ethyl]amino]acetyl]-(carboxymethyl)amino]acetic acid
CID 10628749
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
Ethyl 2-(4-formylpiperazin-1-yl)acetate
CID 676654
Ethyl 2-[2-(2-aminoacetamido)acetamido]acetate
CID 7020070
Glycine, N,N-bis[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl]-, ethyl ester
CID 630323
2-[bis(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 78807491
1,4-Piperazinediacetic acid, diethyl ester
CID 142460

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (CID 6421867) is ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is CCOC(=O)CN(C)C(=O)CN(C)C(=O)OC.
What is the InChIKey of ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The InChIKey is GOKMEMQQHGDZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-5-17-9(14)7-11(2)8(13)6-12(3)10(15)16-4/h5-7H2,1-4H3.
What are the key properties of ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate has a molecular weight of 246.26 g/mol, XLogP of -0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is sourced from PubChem (CID 6421867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).