2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid

C8H19N3O2 — CID 107425136

IUPAC2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CCN)CC(=O)O
InChIInChI=1S/C8H19N3O2/c1-10(2)5-6-11(4-3-9)7-8(12)13/h3-7,9H2,1-2H3,(H,12,13)
InChIKeyDGROQLSGGHMQOI-UHFFFAOYSA-N
MW189.26 g/mol
LogP-1.11
Rot. Bonds7

About 2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid

2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 107425136) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID107425136
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CCN)CC(=O)O
InChIInChI=1S/C8H19N3O2/c1-10(2)5-6-11(4-3-9)7-8(12)13/h3-7,9H2,1-2H3,(H,12,13)
InChIKeyDGROQLSGGHMQOI-UHFFFAOYSA-N
XLogP-1.11
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-aminoethyl)amino]acetic acid
CID 15523358
2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride
CID 86150620
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
CID 107425114
2-[bis(3-aminopropyl)amino]acetic acid
CID 15799499
2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid
CID 59561248
2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid
CID 107425641
Ca-DTPA
CID 86735184
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid
CID 107425399

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid (CID 107425136) is 2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CCN)CC(=O)O.
What is the InChIKey of 2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is DGROQLSGGHMQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-10(2)5-6-11(4-3-9)7-8(12)13/h3-7,9H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 189.26 g/mol, XLogP of -1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 107425136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).