2-(methylamino)ethyl acetate

C5H11NO2 — CID 11528378

IUPAC2-(methylamino)ethyl acetate
SMILESCNCCOC(C)=O
InChIInChI=1S/C5H11NO2/c1-5(7)8-4-3-6-2/h6H,3-4H2,1-2H3
InChIKeyZKXGCJWETIMHPS-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.23
Rot. Bonds3

About 2-(methylamino)ethyl acetate

2-(methylamino)ethyl acetate (PubChem CID 11528378) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-(methylamino)ethyl acetate.

Molecular Properties

Compound Name2-(methylamino)ethyl acetate
PubChem CID11528378
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-(methylamino)ethyl acetate
SMILESCNCCOC(C)=O
InChIInChI=1S/C5H11NO2/c1-5(7)8-4-3-6-2/h6H,3-4H2,1-2H3
InChIKeyZKXGCJWETIMHPS-UHFFFAOYSA-N
XLogP-0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl N-methylaminoacetate hydrochloride
CID 171173
Diethyl iminodiacetate
CID 80502
Sarcosine methyl ester
CID 83545
Glycine, N-methyl-, ethyl ester
CID 95849
Ethyl 2-(ethylamino)acetate
CID 12591597
2-Acetamidoethyl acetate
CID 85319
2-aminoethyl Acetate
CID 112720
Morpholine, acetate (1:1)
CID 11964105
Ethyl 2-((propan-2-yl)amino)acetate
CID 351625
Ethyl 2-(propylamino)acetate
CID 13454968
2-Aminoethyl acetate hydrochloride
CID 19930857
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl acetate?
The IUPAC name of 2-(methylamino)ethyl acetate (CID 11528378) is 2-(methylamino)ethyl acetate.
What is the SMILES notation for 2-(methylamino)ethyl acetate?
The canonical SMILES for 2-(methylamino)ethyl acetate is CNCCOC(C)=O.
What is the InChIKey of 2-(methylamino)ethyl acetate?
The InChIKey is ZKXGCJWETIMHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(7)8-4-3-6-2/h6H,3-4H2,1-2H3.
What are the key properties of 2-(methylamino)ethyl acetate?
2-(methylamino)ethyl acetate has a molecular weight of 117.15 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl acetate is sourced from PubChem (CID 11528378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).