2-[carboxymethyl(methyl)amino]acetic acid

C5H9NO4 — CID 20441

IUPAC2-[carboxymethyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyXWSGEVNYFYKXCP-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.91
Rot. Bonds4

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

2-[carboxymethyl(methyl)amino]acetic acid (PubChem CID 20441) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-[carboxymethyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(methyl)amino]acetic acid
PubChem CID20441
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-[carboxymethyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyXWSGEVNYFYKXCP-UHFFFAOYSA-N
XLogP-0.91
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(methyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(methyl)amino]acetic acid (CID 20441) is 2-[carboxymethyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(methyl)amino]acetic acid is CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(methyl)amino]acetic acid?
The InChIKey is XWSGEVNYFYKXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-[carboxymethyl(methyl)amino]acetic acid?
2-[carboxymethyl(methyl)amino]acetic acid has a molecular weight of 147.13 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(methyl)amino]acetic acid is sourced from PubChem (CID 20441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).