[2-(methylamino)-2-oxoethyl] acetate

C5H9NO3 — CID 14371775

IUPAC[2-(methylamino)-2-oxoethyl] acetate
SMILESCNC(=O)COC(C)=O
InChIInChI=1S/C5H9NO3/c1-4(7)9-3-5(8)6-2/h3H2,1-2H3,(H,6,8)
InChIKeyNWKGXAKYDIJMTQ-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.70
Rot. Bonds2

About [2-(methylamino)-2-oxoethyl] acetate

[2-(methylamino)-2-oxoethyl] acetate (PubChem CID 14371775) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] acetate
PubChem CID14371775
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name[2-(methylamino)-2-oxoethyl] acetate
SMILESCNC(=O)COC(C)=O
InChIInChI=1S/C5H9NO3/c1-4(7)9-3-5(8)6-2/h3H2,1-2H3,(H,6,8)
InChIKeyNWKGXAKYDIJMTQ-UHFFFAOYSA-N
XLogP-0.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] acetate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] acetate (CID 14371775) is [2-(methylamino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] acetate is CNC(=O)COC(C)=O.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] acetate?
The InChIKey is NWKGXAKYDIJMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(7)9-3-5(8)6-2/h3H2,1-2H3,(H,6,8).
What are the key properties of [2-(methylamino)-2-oxoethyl] acetate?
[2-(methylamino)-2-oxoethyl] acetate has a molecular weight of 131.13 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] acetate is sourced from PubChem (CID 14371775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).