methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate

C12H25N3O4 — CID 155041284

IUPACmethyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate
SMILESCCN(CCN(CCN)CC(=O)OC)CC(=O)OC
InChIInChI=1S/C12H25N3O4/c1-4-14(9-11(16)18-2)7-8-15(6-5-13)10-12(17)19-3/h4-10,13H2,1-3H3
InChIKeyUXAIHHHZNNSCDA-UHFFFAOYSA-N
MW275.35 g/mol
LogP-1.09
Rot. Bonds10

About methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate

methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate (PubChem CID 155041284) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate
PubChem CID155041284
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Namemethyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate
SMILESCCN(CCN(CCN)CC(=O)OC)CC(=O)OC
InChIInChI=1S/C12H25N3O4/c1-4-14(9-11(16)18-2)7-8-15(6-5-13)10-12(17)19-3/h4-10,13H2,1-3H3
InChIKeyUXAIHHHZNNSCDA-UHFFFAOYSA-N
XLogP-1.09
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63383203
methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate
CID 62012741
methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate
CID 115665504
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
CID 156509209
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate?
The IUPAC name of methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate (CID 155041284) is methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate?
The canonical SMILES for methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate is CCN(CCN(CCN)CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate?
The InChIKey is UXAIHHHZNNSCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-4-14(9-11(16)18-2)7-8-15(6-5-13)10-12(17)19-3/h4-10,13H2,1-3H3.
What are the key properties of methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate?
methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate has a molecular weight of 275.35 g/mol, XLogP of -1.09, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate is sourced from PubChem (CID 155041284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).