2-methoxyethyl 2-amino-4-oxopentanoate

C8H15NO4 — CID 58554581

IUPAC2-methoxyethyl 2-amino-4-oxopentanoate
SMILESCOCCOC(=O)C(N)CC(C)=O
InChIInChI=1S/C8H15NO4/c1-6(10)5-7(9)8(11)13-4-3-12-2/h7H,3-5,9H2,1-2H3
InChIKeyUSSORWDZGINUEE-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.52
Rot. Bonds6

About 2-methoxyethyl 2-amino-4-oxopentanoate

2-methoxyethyl 2-amino-4-oxopentanoate (PubChem CID 58554581) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-methoxyethyl 2-amino-4-oxopentanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-amino-4-oxopentanoate
PubChem CID58554581
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-methoxyethyl 2-amino-4-oxopentanoate
SMILESCOCCOC(=O)C(N)CC(C)=O
InChIInChI=1S/C8H15NO4/c1-6(10)5-7(9)8(11)13-4-3-12-2/h7H,3-5,9H2,1-2H3
InChIKeyUSSORWDZGINUEE-UHFFFAOYSA-N
XLogP-0.52
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
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-4-oxopentanoate?
The IUPAC name of 2-methoxyethyl 2-amino-4-oxopentanoate (CID 58554581) is 2-methoxyethyl 2-amino-4-oxopentanoate.
What is the SMILES notation for 2-methoxyethyl 2-amino-4-oxopentanoate?
The canonical SMILES for 2-methoxyethyl 2-amino-4-oxopentanoate is COCCOC(=O)C(N)CC(C)=O.
What is the InChIKey of 2-methoxyethyl 2-amino-4-oxopentanoate?
The InChIKey is USSORWDZGINUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(10)5-7(9)8(11)13-4-3-12-2/h7H,3-5,9H2,1-2H3.
What are the key properties of 2-methoxyethyl 2-amino-4-oxopentanoate?
2-methoxyethyl 2-amino-4-oxopentanoate has a molecular weight of 189.21 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-amino-4-oxopentanoate is sourced from PubChem (CID 58554581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).