methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate

C10H20N2O3 — CID 65442241

IUPACmethyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate
SMILESCOC(=O)C(CN(C)C(C)C)NC(C)=O
InChIInChI=1S/C10H20N2O3/c1-7(2)12(4)6-9(10(14)15-5)11-8(3)13/h7,9H,6H2,1-5H3,(H,11,13)
InChIKeyBWBKFGLUMKYWHO-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.00
Rot. Bonds5

About methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate

methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate (PubChem CID 65442241) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate
PubChem CID65442241
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate
SMILESCOC(=O)C(CN(C)C(C)C)NC(C)=O
InChIInChI=1S/C10H20N2O3/c1-7(2)12(4)6-9(10(14)15-5)11-8(3)13/h7,9H,6H2,1-5H3,(H,11,13)
InChIKeyBWBKFGLUMKYWHO-UHFFFAOYSA-N
XLogP0.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate
CID 65444222
methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate
CID 65441847
methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate
CID 65441858
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl (2R)-2-acetamido-3-sulfamoylpropanoate
CID 21117273
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-[2-cyanoethyl(methyl)amino]propanoate
CID 65444021
methyl (2R)-2-acetamido-3-methylsulfanylpropanoate
CID 13059384
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243
methyl (2R)-2-acetamido-3-[(2-acetamido-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 54565842
methyl 2-acetamido-3-[methyl(oxan-4-yl)amino]propanoate
CID 65444239

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate (CID 65442241) is methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate is COC(=O)C(CN(C)C(C)C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate?
The InChIKey is BWBKFGLUMKYWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)12(4)6-9(10(14)15-5)11-8(3)13/h7,9H,6H2,1-5H3,(H,11,13).
What are the key properties of methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate?
methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate has a molecular weight of 216.28 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate is sourced from PubChem (CID 65442241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).