2-methoxyethyl 2-amino-3-hydroxybutanoate

C7H15NO4 — CID 61279925

IUPAC2-methoxyethyl 2-amino-3-hydroxybutanoate
SMILESCOCCOC(=O)C(N)C(C)O
InChIInChI=1S/C7H15NO4/c1-5(9)6(8)7(10)12-4-3-11-2/h5-6,9H,3-4,8H2,1-2H3
InChIKeyDNYPPQZZRIZRJF-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.12
Rot. Bonds5

About 2-methoxyethyl 2-amino-3-hydroxybutanoate

2-methoxyethyl 2-amino-3-hydroxybutanoate (PubChem CID 61279925) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-methoxyethyl 2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-amino-3-hydroxybutanoate
PubChem CID61279925
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name2-methoxyethyl 2-amino-3-hydroxybutanoate
SMILESCOCCOC(=O)C(N)C(C)O
InChIInChI=1S/C7H15NO4/c1-5(9)6(8)7(10)12-4-3-11-2/h5-6,9H,3-4,8H2,1-2H3
InChIKeyDNYPPQZZRIZRJF-UHFFFAOYSA-N
XLogP-1.12
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-amino-3-hydroxybutanoate?
The IUPAC name of 2-methoxyethyl 2-amino-3-hydroxybutanoate (CID 61279925) is 2-methoxyethyl 2-amino-3-hydroxybutanoate.
What is the SMILES notation for 2-methoxyethyl 2-amino-3-hydroxybutanoate?
The canonical SMILES for 2-methoxyethyl 2-amino-3-hydroxybutanoate is COCCOC(=O)C(N)C(C)O.
What is the InChIKey of 2-methoxyethyl 2-amino-3-hydroxybutanoate?
The InChIKey is DNYPPQZZRIZRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-5(9)6(8)7(10)12-4-3-11-2/h5-6,9H,3-4,8H2,1-2H3.
What are the key properties of 2-methoxyethyl 2-amino-3-hydroxybutanoate?
2-methoxyethyl 2-amino-3-hydroxybutanoate has a molecular weight of 177.20 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-amino-3-hydroxybutanoate is sourced from PubChem (CID 61279925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).