methyl 2-[2-aminoethyl(propyl)amino]acetate

C8H18N2O2 — CID 63383086

IUPACmethyl 2-[2-aminoethyl(propyl)amino]acetate
SMILESCCCN(CCN)CC(=O)OC
InChIInChI=1S/C8H18N2O2/c1-3-5-10(6-4-9)7-8(11)12-2/h3-7,9H2,1-2H3
InChIKeyQUVHESBDQKHHJT-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.17
Rot. Bonds6

About methyl 2-[2-aminoethyl(propyl)amino]acetate

methyl 2-[2-aminoethyl(propyl)amino]acetate (PubChem CID 63383086) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl 2-[2-aminoethyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-aminoethyl(propyl)amino]acetate
PubChem CID63383086
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namemethyl 2-[2-aminoethyl(propyl)amino]acetate
SMILESCCCN(CCN)CC(=O)OC
InChIInChI=1S/C8H18N2O2/c1-3-5-10(6-4-9)7-8(11)12-2/h3-7,9H2,1-2H3
InChIKeyQUVHESBDQKHHJT-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate
CID 155041284
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
methyl 2-[2-ethylbutyl(propyl)amino]acetate
CID 78978764
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate
CID 62013681
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate
CID 62011366
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate
CID 103411947
methyl 2-[amino(propyl)amino]acetate
CID 123689793

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-aminoethyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[2-aminoethyl(propyl)amino]acetate (CID 63383086) is methyl 2-[2-aminoethyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-aminoethyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[2-aminoethyl(propyl)amino]acetate is CCCN(CCN)CC(=O)OC.
What is the InChIKey of methyl 2-[2-aminoethyl(propyl)amino]acetate?
The InChIKey is QUVHESBDQKHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-5-10(6-4-9)7-8(11)12-2/h3-7,9H2,1-2H3.
What are the key properties of methyl 2-[2-aminoethyl(propyl)amino]acetate?
methyl 2-[2-aminoethyl(propyl)amino]acetate has a molecular weight of 174.24 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-aminoethyl(propyl)amino]acetate is sourced from PubChem (CID 63383086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).