2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid

C7H13NO5 — CID 54420994

IUPAC2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid
SMILESCCN(CC(=O)O)C(OC)C(=O)O
InChIInChI=1S/C7H13NO5/c1-3-8(4-5(9)10)6(13-2)7(11)12/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyWAUAZOHTNPYJMI-UHFFFAOYSA-N
MW191.18 g/mol
LogP-0.55
Rot. Bonds6

About 2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid

2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid (PubChem CID 54420994) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is 2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid
PubChem CID54420994
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid
SMILESCCN(CC(=O)O)C(OC)C(=O)O
InChIInChI=1S/C7H13NO5/c1-3-8(4-5(9)10)6(13-2)7(11)12/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyWAUAZOHTNPYJMI-UHFFFAOYSA-N
XLogP-0.55
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(Dimethylamino)ethoxy]acetic acid
CID 13211396
Hydroxy-methyl methylglycine
CID 15678438
Hydroxybetaine
CID 10197714
N,N-Bis[2-(carboxymethoxy)ethyl]glycine
CID 71357064
disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate
CID 90478242
2-[2-(Carboxymethoxy)ethyl-(carboxymethyl)amino]acetic acid
CID 9881152
[Carboxy(hydroxy)methyl]-trimethylazanium
CID 10197715
2-[2-(Carboxymethoxy)ethyl-(cyanomethyl)amino]acetic acid
CID 11310455
2-(2-(Diethylamino)ethoxy)-2-oxoacetic acid
CID 17768607
2-[Bis(2-hydroxyethyl)amino]acetic acid;2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]acetic acid
CID 17775480
2-[2-(Dimethylamino)ethoxy]-2-oxoacetic acid
CID 17817475
Methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate
CID 21363023

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid?
The IUPAC name of 2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid (CID 54420994) is 2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid.
What is the SMILES notation for 2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid?
The canonical SMILES for 2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid is CCN(CC(=O)O)C(OC)C(=O)O.
What is the InChIKey of 2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid?
The InChIKey is WAUAZOHTNPYJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5/c1-3-8(4-5(9)10)6(13-2)7(11)12/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid?
2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid has a molecular weight of 191.18 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(ethyl)amino]-2-methoxyacetic acid is sourced from PubChem (CID 54420994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).