methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate

C12H24N2O5 — CID 134542602

IUPACmethyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate
SMILESCCOC(=O)N(CCCOCCN)CCC(=O)OC
InChIInChI=1S/C12H24N2O5/c1-3-19-12(16)14(8-5-11(15)17-2)7-4-9-18-10-6-13/h3-10,13H2,1-2H3
InChIKeyMKFOYPPGWOLFLI-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.37
Rot. Bonds10

About methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate

methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate (PubChem CID 134542602) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate
PubChem CID134542602
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Namemethyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate
SMILESCCOC(=O)N(CCCOCCN)CCC(=O)OC
InChIInChI=1S/C12H24N2O5/c1-3-19-12(16)14(8-5-11(15)17-2)7-4-9-18-10-6-13/h3-10,13H2,1-2H3
InChIKeyMKFOYPPGWOLFLI-UHFFFAOYSA-N
XLogP0.37
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate
CID 61009915
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 100910535
methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride
CID 172915982
methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953811
methyl 3-[ethoxycarbonyl(thiophen-3-ylmethyl)amino]propanoate
CID 58293749
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
6-(2-aminoethoxy)hexan-3-one
CID 158645779
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
3-[ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760
methyl 4-ethoxycarbonyloxybutanoate
CID 140976798

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate?
The IUPAC name of methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate (CID 134542602) is methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate.
What is the SMILES notation for methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate?
The canonical SMILES for methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate is CCOC(=O)N(CCCOCCN)CCC(=O)OC.
What is the InChIKey of methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate?
The InChIKey is MKFOYPPGWOLFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-3-19-12(16)14(8-5-11(15)17-2)7-4-9-18-10-6-13/h3-10,13H2,1-2H3.
What are the key properties of methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate?
methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate has a molecular weight of 276.33 g/mol, XLogP of 0.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2-aminoethoxy)propyl-ethoxycarbonylamino]propanoate is sourced from PubChem (CID 134542602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).