methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate

C11H21N3O4 — CID 65441858

IUPACmethyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)C(CN(C)CC(=O)N(C)C)NC(C)=O
InChIInChI=1S/C11H21N3O4/c1-8(15)12-9(11(17)18-5)6-14(4)7-10(16)13(2)3/h9H,6-7H2,1-5H3,(H,12,15)
InChIKeyKALCCJMNKKBUKH-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.32
Rot. Bonds6

About methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate

methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate (PubChem CID 65441858) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate
PubChem CID65441858
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Namemethyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)C(CN(C)CC(=O)N(C)C)NC(C)=O
InChIInChI=1S/C11H21N3O4/c1-8(15)12-9(11(17)18-5)6-14(4)7-10(16)13(2)3/h9H,6-7H2,1-5H3,(H,12,15)
InChIKeyKALCCJMNKKBUKH-UHFFFAOYSA-N
XLogP-1.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate
CID 65444222
methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate
CID 65442241
methyl 2-acetamido-3-[2-cyanoethyl(methyl)amino]propanoate
CID 65444021
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate
CID 65441847
methyl 2-acetamido-3-[(5-bromothiophen-3-yl)methyl-methylamino]propanoate
CID 65473228
methyl 2-acetamido-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoate
CID 65474202
methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate
CID 65475947
methyl (2R)-2-acetamido-3-methylsulfanylpropanoate
CID 13059384

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate (CID 65441858) is methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate is COC(=O)C(CN(C)CC(=O)N(C)C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate?
The InChIKey is KALCCJMNKKBUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-8(15)12-9(11(17)18-5)6-14(4)7-10(16)13(2)3/h9H,6-7H2,1-5H3,(H,12,15).
What are the key properties of methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate?
methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate has a molecular weight of 259.31 g/mol, XLogP of -1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 65441858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).