2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid

C7H16N2O3 — CID 118019685

IUPAC2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid
SMILESCNCCN(CCO)CC(=O)O
InChIInChI=1S/C7H16N2O3/c1-8-2-3-9(4-5-10)6-7(11)12/h8,10H,2-6H2,1H3,(H,11,12)
InChIKeyBKHMUPNAQREOKG-UHFFFAOYSA-N
MW176.22 g/mol
LogP-1.42
Rot. Bonds7

About 2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid

2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid (PubChem CID 118019685) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid
PubChem CID118019685
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid
SMILESCNCCN(CCO)CC(=O)O
InChIInChI=1S/C7H16N2O3/c1-8-2-3-9(4-5-10)6-7(11)12/h8,10H,2-6H2,1H3,(H,11,12)
InChIKeyBKHMUPNAQREOKG-UHFFFAOYSA-N
XLogP-1.42
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 87469111
CID 87469111
hexasodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173154313
azanium;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;iron
CID 163360235
2-[ethyl-[2-(methylamino)ethyl]amino]ethanol;formaldehyde
CID 143070492
2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid
CID 138080551
sodium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 22359060
azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 23173744
2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine
CID 142211328
tris(2-[bis(2-hydroxyethyl)amino]acetic acid);2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
CID 173011257
sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173090653
2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 122500414
trisodium;tris(2-[carboxymethyl-[2-[carboxymethyl(2-hydroxyethyl)amino]ethyl]amino]acetate)
CID 173437538

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid (CID 118019685) is 2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid is CNCCN(CCO)CC(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid?
The InChIKey is BKHMUPNAQREOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-8-2-3-9(4-5-10)6-7(11)12/h8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid?
2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid has a molecular weight of 176.22 g/mol, XLogP of -1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 118019685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).