2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid

C12H26N2O3 — CID 107425641

IUPAC2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid
SMILESCN(C)CCN(CCOC(C)(C)C)CC(=O)O
InChIInChI=1S/C12H26N2O3/c1-12(2,3)17-9-8-14(10-11(15)16)7-6-13(4)5/h6-10H2,1-5H3,(H,15,16)
InChIKeyGPGVTCIDFPNIRE-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.75
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid (PubChem CID 107425641) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid
PubChem CID107425641
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid
SMILESCN(C)CCN(CCOC(C)(C)C)CC(=O)O
InChIInChI=1S/C12H26N2O3/c1-12(2,3)17-9-8-14(10-11(15)16)7-6-13(4)5/h6-10H2,1-5H3,(H,15,16)
InChIKeyGPGVTCIDFPNIRE-UHFFFAOYSA-N
XLogP0.75
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid
CID 112590569
2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
CID 107425114
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
2-[2-(dimethylamino)ethyl-[2-(2-methoxyphenoxy)ethyl]amino]acetic acid
CID 107425771
2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetic acid
CID 18751403
2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid
CID 107425241
2-[2-(3-bromophenoxy)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425881
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
Ca-DTPA
CID 86735184

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid (CID 107425641) is 2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid is CN(C)CCN(CCOC(C)(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid?
The InChIKey is GPGVTCIDFPNIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-12(2,3)17-9-8-14(10-11(15)16)7-6-13(4)5/h6-10H2,1-5H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid has a molecular weight of 246.35 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid is sourced from PubChem (CID 107425641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).