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

C11H21NO3S — CID 106248351

IUPACmethyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate
SMILESCOC(=O)C(NCC(C)(O)CSC)C1CC1
InChIInChI=1S/C11H21NO3S/c1-11(14,7-16-3)6-12-9(8-4-5-8)10(13)15-2/h8-9,12,14H,4-7H2,1-3H3
InChIKeyBJLVMMFQLVRYCB-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.64
Rot. Bonds7

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

methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate (PubChem CID 106248351) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate
PubChem CID106248351
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Namemethyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate
SMILESCOC(=O)C(NCC(C)(O)CSC)C1CC1
InChIInChI=1S/C11H21NO3S/c1-11(14,7-16-3)6-12-9(8-4-5-8)10(13)15-2/h8-9,12,14H,4-7H2,1-3H3
InChIKeyBJLVMMFQLVRYCB-UHFFFAOYSA-N
XLogP0.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate
CID 106278452
methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 103251044
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]hexanoate
CID 106248338
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide
CID 106246987
2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103699659
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoate
CID 114163451
methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate
CID 103261473
2-cyclopropyl-2-[(2-methoxy-2-methylpropyl)amino]acetic acid
CID 103266053
methyl 2-cyclopropyl-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetate
CID 103264509
methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
CID 103258992
methyl 2-(benzylamino)-2-cyclopropylacetate
CID 61310357

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate (CID 106248351) is methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate is COC(=O)C(NCC(C)(O)CSC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate?
The InChIKey is BJLVMMFQLVRYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(14,7-16-3)6-12-9(8-4-5-8)10(13)15-2/h8-9,12,14H,4-7H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate?
methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate has a molecular weight of 247.36 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate is sourced from PubChem (CID 106248351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).