2-amino-2-ethoxyacetic acid

C4H9NO3 — CID 20510067

IUPAC2-amino-2-ethoxyacetic acid
SMILESCCOC(N)C(=O)O
InChIInChI=1S/C4H9NO3/c1-2-8-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKeySCAHQODBSZHGTR-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.61
Rot. Bonds3

About 2-amino-2-ethoxyacetic acid

2-amino-2-ethoxyacetic acid (PubChem CID 20510067) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-amino-2-ethoxyacetic acid.

Molecular Properties

Compound Name2-amino-2-ethoxyacetic acid
PubChem CID20510067
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-amino-2-ethoxyacetic acid
SMILESCCOC(N)C(=O)O
InChIInChI=1S/C4H9NO3/c1-2-8-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKeySCAHQODBSZHGTR-UHFFFAOYSA-N
XLogP-0.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethoxyacetic acid?
The IUPAC name of 2-amino-2-ethoxyacetic acid (CID 20510067) is 2-amino-2-ethoxyacetic acid.
What is the SMILES notation for 2-amino-2-ethoxyacetic acid?
The canonical SMILES for 2-amino-2-ethoxyacetic acid is CCOC(N)C(=O)O.
What is the InChIKey of 2-amino-2-ethoxyacetic acid?
The InChIKey is SCAHQODBSZHGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-2-8-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7).
What are the key properties of 2-amino-2-ethoxyacetic acid?
2-amino-2-ethoxyacetic acid has a molecular weight of 119.12 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethoxyacetic acid is sourced from PubChem (CID 20510067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).