2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid

C8H19N3O2 — CID 118237279

IUPAC2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid
SMILESCC(N)N(C)CCN(C)CC(=O)O
InChIInChI=1S/C8H19N3O2/c1-7(9)11(3)5-4-10(2)6-8(12)13/h7H,4-6,9H2,1-3H3,(H,12,13)
InChIKeyCKUIAKPLAFIPQA-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.76
Rot. Bonds6

About 2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid

2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid (PubChem CID 118237279) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid
PubChem CID118237279
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid
SMILESCC(N)N(C)CCN(C)CC(=O)O
InChIInChI=1S/C8H19N3O2/c1-7(9)11(3)5-4-10(2)6-8(12)13/h7H,4-6,9H2,1-3H3,(H,12,13)
InChIKeyCKUIAKPLAFIPQA-UHFFFAOYSA-N
XLogP-0.76
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
2-[3,7-dimethyloctyl(methyl)amino]acetic acid
CID 169208781
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
2-[4-aminobutyl(methyl)amino]acetic acid;azane
CID 172717710
2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid
CID 15678371
2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid
CID 61484389
3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986775

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid (CID 118237279) is 2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid is CC(N)N(C)CCN(C)CC(=O)O.
What is the InChIKey of 2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid?
The InChIKey is CKUIAKPLAFIPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-7(9)11(3)5-4-10(2)6-8(12)13/h7H,4-6,9H2,1-3H3,(H,12,13).
What are the key properties of 2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid?
2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid has a molecular weight of 189.26 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid is sourced from PubChem (CID 118237279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).