methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate

C11H21NO2S — CID 103251044

IUPACmethyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate
SMILESCOC(=O)C(NCC(C)CSC)C1CC1
InChIInChI=1S/C11H21NO2S/c1-8(7-15-3)6-12-10(9-4-5-9)11(13)14-2/h8-10,12H,4-7H2,1-3H3
InChIKeyDBRLEPPZYOKNBA-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.53
Rot. Bonds7

About methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate

methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate (PubChem CID 103251044) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate
PubChem CID103251044
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Namemethyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate
SMILESCOC(=O)C(NCC(C)CSC)C1CC1
InChIInChI=1S/C11H21NO2S/c1-8(7-15-3)6-12-10(9-4-5-9)11(13)14-2/h8-10,12H,4-7H2,1-3H3
InChIKeyDBRLEPPZYOKNBA-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate
CID 103259490
methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 106248351
methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
CID 103258992
methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate
CID 107816750
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]propanoate
CID 63964742
methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 107853970
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate
CID 106278452
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719687

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate (CID 103251044) is methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate is COC(=O)C(NCC(C)CSC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate?
The InChIKey is DBRLEPPZYOKNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-8(7-15-3)6-12-10(9-4-5-9)11(13)14-2/h8-10,12H,4-7H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate?
methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate has a molecular weight of 231.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate is sourced from PubChem (CID 103251044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).