methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate

C12H24N2O3 — CID 54873462

IUPACmethyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate
SMILESCCC(C)NCC(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-6-10(3)13-7-11(15)14(4)8-9(2)12(16)17-5/h9-10,13H,6-8H2,1-5H3
InChIKeyMYUBETHCOBPYJP-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.64
Rot. Bonds7

About methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate (PubChem CID 54873462) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate
PubChem CID54873462
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate
SMILESCCC(C)NCC(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-6-10(3)13-7-11(15)14(4)8-9(2)12(16)17-5/h9-10,13H,6-8H2,1-5H3
InChIKeyMYUBETHCOBPYJP-UHFFFAOYSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
CID 60964030
methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate
CID 79282082
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate
CID 79024253
2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
CID 60963182
N-ethyl-2-(1-methoxypropan-2-ylamino)-N-methylacetamide
CID 43309563
methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate
CID 60964013
2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 54872948
N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylacetamide
CID 104926691
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
CID 62900263

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate (CID 54873462) is methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate is CCC(C)NCC(=O)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate?
The InChIKey is MYUBETHCOBPYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-10(3)13-7-11(15)14(4)8-9(2)12(16)17-5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 54873462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).