methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate

C9H19NO3S — CID 112661457

IUPACmethyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate
SMILESCOC(=O)C(C)(O)CN(C)CCSC
InChIInChI=1S/C9H19NO3S/c1-9(12,8(11)13-3)7-10(2)5-6-14-4/h12H,5-7H2,1-4H3
InChIKeyFUKLHULGJHIMHC-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.21
Rot. Bonds6

About methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate

methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate (PubChem CID 112661457) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate
PubChem CID112661457
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate
SMILESCOC(=O)C(C)(O)CN(C)CCSC
InChIInChI=1S/C9H19NO3S/c1-9(12,8(11)13-3)7-10(2)5-6-14-4/h12H,5-7H2,1-4H3
InChIKeyFUKLHULGJHIMHC-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate
CID 104645223
methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate
CID 115976307
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate
CID 55226782
2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal
CID 112664480
1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine
CID 112664734
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
2-hydroxy-2-methyl-3-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]propanoic acid
CID 112662584
methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
CID 79621448
N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine
CID 112664642
methyl 2-(difluoroamino)-2-fluoro-4-methylsulfanylbutanoate
CID 87194835

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate (CID 112661457) is methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate is COC(=O)C(C)(O)CN(C)CCSC.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate?
The InChIKey is FUKLHULGJHIMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(12,8(11)13-3)7-10(2)5-6-14-4/h12H,5-7H2,1-4H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate?
methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate has a molecular weight of 221.32 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate is sourced from PubChem (CID 112661457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).