2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid

C8H13NO6 — CID 54043700

IUPAC2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid
SMILESCCOC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H13NO6/c1-2-15-8(14)5-9(3-6(10)11)4-7(12)13/h2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyLOCHCUNCWXYCSH-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.98
Rot. Bonds7

About 2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid

2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid (PubChem CID 54043700) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid
PubChem CID54043700
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid
SMILESCCOC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H13NO6/c1-2-15-8(14)5-9(3-6(10)11)4-7(12)13/h2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyLOCHCUNCWXYCSH-UHFFFAOYSA-N
XLogP-0.98
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid (CID 54043700) is 2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid is CCOC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid?
The InChIKey is LOCHCUNCWXYCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO6/c1-2-15-8(14)5-9(3-6(10)11)4-7(12)13/h2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid?
2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid has a molecular weight of 219.19 g/mol, XLogP of -0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]acetic acid is sourced from PubChem (CID 54043700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).