methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate

C12H25NO3 — CID 114448878

IUPACmethyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(C)(O)C(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)12(4,15)8-13(5)7-10(3)11(14)16-6/h9-10,15H,7-8H2,1-6H3
InChIKeyDYJTWFSBHDCHDD-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.13
Rot. Bonds6

About methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate

methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate (PubChem CID 114448878) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate
PubChem CID114448878
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Namemethyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(C)(O)C(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)12(4,15)8-13(5)7-10(3)11(14)16-6/h9-10,15H,7-8H2,1-6H3
InChIKeyDYJTWFSBHDCHDD-UHFFFAOYSA-N
XLogP1.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate
CID 114448917
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate
CID 76886619
dimethyl 2-(2-hydroxy-2,3-dimethylbutyl)propanedioate
CID 114497667
methyl 2-methyl-3-[methyl(octyl)amino]propanoate
CID 62011879
methyl 3-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]-2-methylpropanoate
CID 103372172
methyl 3-[formyl(methyl)amino]-2-methylpropanoate
CID 64992660
methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
CID 43570291
1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol
CID 114496570
methyl 2-methyl-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 61066835
2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
CID 62822215

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate (CID 114448878) is methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CC(C)(O)C(C)C.
What is the InChIKey of methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate?
The InChIKey is DYJTWFSBHDCHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(2)12(4,15)8-13(5)7-10(3)11(14)16-6/h9-10,15H,7-8H2,1-6H3.
What are the key properties of methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate?
methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate has a molecular weight of 231.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 114448878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).