methyl 2-acetamidoacetate

C5H9NO3 — CID 517966

IUPACmethyl 2-acetamidoacetate
SMILESCOC(=O)CNC(C)=O
InChIInChI=1S/C5H9NO3/c1-4(7)6-3-5(8)9-2/h3H2,1-2H3,(H,6,7)
InChIKeyRFNODQARGNZURK-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.70
Rot. Bonds2

About methyl 2-acetamidoacetate

methyl 2-acetamidoacetate (PubChem CID 517966) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is methyl 2-acetamidoacetate.

Molecular Properties

Compound Namemethyl 2-acetamidoacetate
PubChem CID517966
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namemethyl 2-acetamidoacetate
SMILESCOC(=O)CNC(C)=O
InChIInChI=1S/C5H9NO3/c1-4(7)6-3-5(8)9-2/h3H2,1-2H3,(H,6,7)
InChIKeyRFNODQARGNZURK-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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Related Compounds

Acetylglycine
CID 10972
Dimethyloxalylglycine
CID 560326
Ethyl acetamidoacetate
CID 74702
Glycine, N-(trifluoroacetyl)-, methyl ester
CID 136228
Sarcosine methyl ester
CID 83545
Ethyl 2-(ethylamino)acetate
CID 12591597
2-Acetamidoethyl acetate
CID 85319
Glycine, N-formyl-, ethyl ester
CID 76615
Methyl (propionylamino)acetate
CID 533879
Isobutyrylglycine, methyl ester
CID 4467317
(S)-Methyl 2-acetamidopropanoate
CID 6951030
Methyl 2-(2-chloroacetamido)acetate
CID 2387220

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamidoacetate?
The IUPAC name of methyl 2-acetamidoacetate (CID 517966) is methyl 2-acetamidoacetate.
What is the SMILES notation for methyl 2-acetamidoacetate?
The canonical SMILES for methyl 2-acetamidoacetate is COC(=O)CNC(C)=O.
What is the InChIKey of methyl 2-acetamidoacetate?
The InChIKey is RFNODQARGNZURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(7)6-3-5(8)9-2/h3H2,1-2H3,(H,6,7).
What are the key properties of methyl 2-acetamidoacetate?
methyl 2-acetamidoacetate 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 methyl 2-acetamidoacetate is sourced from PubChem (CID 517966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).