methyl 2-amino-2-methoxyacetate

CAS No.：

Cat. No.: SC251365

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Product Name :methyl 2-amino-2-methoxyacetate

Cat. No.: :SC251365

Purity / Specification :—

CAS No. :57200-37-0

MDL No. :—

Molecular Formula :C₄H₉NO₃

LogP :-0.91

Molecular Weight :119.12

TPSA :61.5

Category :CRO / Contract Research

HSN Code :—

SMILES Code :COC(=O)C(N)OC

Melting Point :—

InChI Key : :JSMSNHPMNBVMLN-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 119.1 Da

LogP ≤ 5✓ -0.91

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

52/100

Fragment / low drug-likeness

Predicted LogP

-0.91log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 61.5Å² · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−

Requires experimental confirmation.

⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.