methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate

C10H24N4O2 — CID 102046536

IUPACmethyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate
SMILESCOC(=O)CCNCCN(CCN)CCN
InChIInChI=1S/C10H24N4O2/c1-16-10(15)2-5-13-6-9-14(7-3-11)8-4-12/h13H,2-9,11-12H2,1H3
InChIKeyJQIGKJCBZHDIQD-UHFFFAOYSA-N
MW232.33 g/mol
LogP-1.64
Rot. Bonds10

About methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate

methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate (PubChem CID 102046536) has the molecular formula C10H24N4O2 and a molecular weight of 232.33 g/mol. Its IUPAC name is methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate
PubChem CID102046536
Molecular FormulaC10H24N4O2
Molecular Weight232.33 g/mol
Exact Mass232.19
IUPAC Namemethyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate
SMILESCOC(=O)CCNCCN(CCN)CCN
InChIInChI=1S/C10H24N4O2/c1-16-10(15)2-5-13-6-9-14(7-3-11)8-4-12/h13H,2-9,11-12H2,1H3
InChIKeyJQIGKJCBZHDIQD-UHFFFAOYSA-N
XLogP-1.64
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
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-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate
CID 88970270
methyl 3-[2-[2-[2-aminoethyl(propyl)amino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-(dipropylamino)ethyl-methylamino]ethylamino]propanoate;methyl 3-[2-[2-[2-[(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate
CID 158496607
ethyl 3-[2-[2-[2-aminoethyl-(3-ethoxy-3-oxopropyl)amino]ethylamino]ethylamino]propanoate
CID 143379175
methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate
CID 129181222
methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate
CID 118011739
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 6-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]hexanoate;methyl 6-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)amino]ethyl]amino]ethyl]amino]hexanoate
CID 159016954
methyl 3-[2-aminoethyl(hexyl)amino]propanoate;methyl 6-(5-aminopentylamino)hexanoate;methyl 6-[5-[(3-methoxy-3-oxopropyl)amino]pentylamino]hexanoate
CID 157083550
methyl 3-[2-[2-[2-[(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate
CID 90207706
methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate
CID 158409373
methyl 3-[3-(diethylamino)propylamino]propanoate
CID 43242751
acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol
CID 173116618
methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate?
The IUPAC name of methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate (CID 102046536) is methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate.
What is the SMILES notation for methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate?
The canonical SMILES for methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate is COC(=O)CCNCCN(CCN)CCN.
What is the InChIKey of methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate?
The InChIKey is JQIGKJCBZHDIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2/c1-16-10(15)2-5-13-6-9-14(7-3-11)8-4-12/h13H,2-9,11-12H2,1H3.
What are the key properties of methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate?
methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate has a molecular weight of 232.33 g/mol, XLogP of -1.64, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate is sourced from PubChem (CID 102046536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).