methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate

C11H22N2O3 — CID 65444222

IUPACmethyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate
SMILESCOC(=O)C(CN(C)CC(C)C)NC(C)=O
InChIInChI=1S/C11H22N2O3/c1-8(2)6-13(4)7-10(11(15)16-5)12-9(3)14/h8,10H,6-7H2,1-5H3,(H,12,14)
InChIKeyXZOMYNPBXKEUBR-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.25
Rot. Bonds6

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

methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate (PubChem CID 65444222) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate
PubChem CID65444222
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate
SMILESCOC(=O)C(CN(C)CC(C)C)NC(C)=O
InChIInChI=1S/C11H22N2O3/c1-8(2)6-13(4)7-10(11(15)16-5)12-9(3)14/h8,10H,6-7H2,1-5H3,(H,12,14)
InChIKeyXZOMYNPBXKEUBR-UHFFFAOYSA-N
XLogP0.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate
CID 65442241
methyl 2-acetamido-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanoate
CID 65441858
methyl 2-acetamido-3-[2-cyanoethyl(methyl)amino]propanoate
CID 65444021
methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate
CID 65441847
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-acetamido-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoate
CID 65474202
methyl 2-acetamido-3-[(5-bromothiophen-3-yl)methyl-methylamino]propanoate
CID 65473228
methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate
CID 65475947
methyl 2-acetamido-3-propan-2-ylsulfanylpropanoate
CID 58759760
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate
CID 65473235

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate (CID 65444222) is methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate is COC(=O)C(CN(C)CC(C)C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate?
The InChIKey is XZOMYNPBXKEUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)6-13(4)7-10(11(15)16-5)12-9(3)14/h8,10H,6-7H2,1-5H3,(H,12,14).
What are the key properties of methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate?
methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.25, 6 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(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 65444222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).