2-[2-aminoethyl(carboxymethyl)amino]acetic acid

C6H12N2O4 — CID 10464824

IUPAC2-[2-aminoethyl(carboxymethyl)amino]acetic acid
SMILESNCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H12N2O4/c7-1-2-8(3-5(9)10)4-6(11)12/h1-4,7H2,(H,9,10)(H,11,12)
InChIKeySJBOEHIKNDEHHO-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.58
Rot. Bonds6

About 2-[2-aminoethyl(carboxymethyl)amino]acetic acid

2-[2-aminoethyl(carboxymethyl)amino]acetic acid (PubChem CID 10464824) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-[2-aminoethyl(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-aminoethyl(carboxymethyl)amino]acetic acid
PubChem CID10464824
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name2-[2-aminoethyl(carboxymethyl)amino]acetic acid
SMILESNCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H12N2O4/c7-1-2-8(3-5(9)10)4-6(11)12/h1-4,7H2,(H,9,10)(H,11,12)
InChIKeySJBOEHIKNDEHHO-UHFFFAOYSA-N
XLogP-1.58
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[2-aminoethyl(carboxymethyl)amino]acetic acid (CID 10464824) is 2-[2-aminoethyl(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-aminoethyl(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[2-aminoethyl(carboxymethyl)amino]acetic acid is NCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-aminoethyl(carboxymethyl)amino]acetic acid?
The InChIKey is SJBOEHIKNDEHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c7-1-2-8(3-5(9)10)4-6(11)12/h1-4,7H2,(H,9,10)(H,11,12).
What are the key properties of 2-[2-aminoethyl(carboxymethyl)amino]acetic acid?
2-[2-aminoethyl(carboxymethyl)amino]acetic acid has a molecular weight of 176.17 g/mol, XLogP of -1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 10464824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).