methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate

C9H16N2O4 — CID 43407517

IUPACmethyl 2-[3-acetamidopropanoyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCNC(C)=O
InChIInChI=1S/C9H16N2O4/c1-7(12)10-5-4-8(13)11(2)6-9(14)15-3/h4-6H2,1-3H3,(H,10,12)
InChIKeyYOVJNTJKVGIULL-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.86
Rot. Bonds5

About methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate

methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate (PubChem CID 43407517) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-acetamidopropanoyl(methyl)amino]acetate
PubChem CID43407517
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl 2-[3-acetamidopropanoyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCNC(C)=O
InChIInChI=1S/C9H16N2O4/c1-7(12)10-5-4-8(13)11(2)6-9(14)15-3/h4-6H2,1-3H3,(H,10,12)
InChIKeyYOVJNTJKVGIULL-UHFFFAOYSA-N
XLogP-0.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride
CID 155943272
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383
methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357
3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 156661280
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107202880
methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate
CID 43407455
ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate
CID 55207467
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128188
methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
CID 174628229
3-acetamido-N,N-diethylpropanamide;ethane
CID 143532923
methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate
CID 43409761

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate (CID 43407517) is methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate is COC(=O)CN(C)C(=O)CCNC(C)=O.
What is the InChIKey of methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate?
The InChIKey is YOVJNTJKVGIULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-7(12)10-5-4-8(13)11(2)6-9(14)15-3/h4-6H2,1-3H3,(H,10,12).
What are the key properties of methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate?
methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate has a molecular weight of 216.24 g/mol, XLogP of -0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate is sourced from PubChem (CID 43407517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).