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

C6H11NO5 — CID 7152

IUPAC2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CC(=O)O
InChIInChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12)
InChIKeyJYXGIOKAKDAARW-UHFFFAOYSA-N
MW177.16 g/mol
LogP-1.55
Rot. Bonds6

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

2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid (PubChem CID 7152) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
PubChem CID7152
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CC(=O)O
InChIInChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12)
InChIKeyJYXGIOKAKDAARW-UHFFFAOYSA-N
XLogP-1.55
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid (CID 7152) is 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid is O=C(O)CN(CCO)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid?
The InChIKey is JYXGIOKAKDAARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12).
What are the key properties of 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid?
2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid has a molecular weight of 177.16 g/mol, XLogP of -1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid is sourced from PubChem (CID 7152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).