(1-amino-2-methoxyethyl) acetate

C5H11NO3 — CID 22623635

IUPAC(1-amino-2-methoxyethyl) acetate
SMILESCOCC(N)OC(C)=O
InChIInChI=1S/C5H11NO3/c1-4(7)9-5(6)3-8-2/h5H,3,6H2,1-2H3
InChIKeyPQNKLNATBUADPZ-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.52
Rot. Bonds3

About (1-amino-2-methoxyethyl) acetate

(1-amino-2-methoxyethyl) acetate (PubChem CID 22623635) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (1-amino-2-methoxyethyl) acetate.

Molecular Properties

Compound Name(1-amino-2-methoxyethyl) acetate
PubChem CID22623635
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(1-amino-2-methoxyethyl) acetate
SMILESCOCC(N)OC(C)=O
InChIInChI=1S/C5H11NO3/c1-4(7)9-5(6)3-8-2/h5H,3,6H2,1-2H3
InChIKeyPQNKLNATBUADPZ-UHFFFAOYSA-N
XLogP-0.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (1-amino-2-methoxyethyl) acetate?
The IUPAC name of (1-amino-2-methoxyethyl) acetate (CID 22623635) is (1-amino-2-methoxyethyl) acetate.
What is the SMILES notation for (1-amino-2-methoxyethyl) acetate?
The canonical SMILES for (1-amino-2-methoxyethyl) acetate is COCC(N)OC(C)=O.
What is the InChIKey of (1-amino-2-methoxyethyl) acetate?
The InChIKey is PQNKLNATBUADPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(7)9-5(6)3-8-2/h5H,3,6H2,1-2H3.
What are the key properties of (1-amino-2-methoxyethyl) acetate?
(1-amino-2-methoxyethyl) acetate has a molecular weight of 133.15 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methoxyethyl) acetate is sourced from PubChem (CID 22623635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).