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

C12H26N2O3 — CID 107425241

IUPAC2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid
SMILESCCC(O)(CC)CN(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H26N2O3/c1-5-12(17,6-2)10-14(9-11(15)16)8-7-13(3)4/h17H,5-10H2,1-4H3,(H,15,16)
InChIKeyGHEXQTQFKBRMLD-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.49
Rot. Bonds9

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

2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid (PubChem CID 107425241) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid
PubChem CID107425241
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid
SMILESCCC(O)(CC)CN(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H26N2O3/c1-5-12(17,6-2)10-14(9-11(15)16)8-7-13(3)4/h17H,5-10H2,1-4H3,(H,15,16)
InChIKeyGHEXQTQFKBRMLD-UHFFFAOYSA-N
XLogP0.49
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
CID 107425114
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid
CID 114494841
2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid
CID 107425641
2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid
CID 107425399
2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 107426053
2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 107426068
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid (CID 107425241) is 2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid is CCC(O)(CC)CN(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid?
The InChIKey is GHEXQTQFKBRMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-5-12(17,6-2)10-14(9-11(15)16)8-7-13(3)4/h17H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid has a molecular weight of 246.35 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid is sourced from PubChem (CID 107425241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).