methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate

C10H14BrNO3S — CID 79991245

IUPACmethyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate
SMILESCOC(=O)COCC(N)c1cc(C)c(Br)s1
InChIInChI=1S/C10H14BrNO3S/c1-6-3-8(16-10(6)11)7(12)4-15-5-9(13)14-2/h3,7H,4-5,12H2,1-2H3
InChIKeyWRWZLFGHRSTDFC-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.01
Rot. Bonds5

About methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate

methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate (PubChem CID 79991245) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate
PubChem CID79991245
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Namemethyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate
SMILESCOC(=O)COCC(N)c1cc(C)c(Br)s1
InChIInChI=1S/C10H14BrNO3S/c1-6-3-8(16-10(6)11)7(12)4-15-5-9(13)14-2/h3,7H,4-5,12H2,1-2H3
InChIKeyWRWZLFGHRSTDFC-UHFFFAOYSA-N
XLogP2.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate
CID 61329545
4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide
CID 79991570
1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013420
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
CID 105055102
ethyl 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanoate
CID 79991140
methyl 2-[2-amino-2-(3-bromothiophen-2-yl)ethoxy]acetate
CID 80535938
methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate
CID 61327808
ethyl 5-amino-5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethylpentanoate
CID 79991353
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate
CID 61329151
ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
CID 61327208
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313610

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate?
The IUPAC name of methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate (CID 79991245) is methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate?
The canonical SMILES for methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate is COC(=O)COCC(N)c1cc(C)c(Br)s1.
What is the InChIKey of methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate?
The InChIKey is WRWZLFGHRSTDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-6-3-8(16-10(6)11)7(12)4-15-5-9(13)14-2/h3,7H,4-5,12H2,1-2H3.
What are the key properties of methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate?
methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate has a molecular weight of 308.20 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate is sourced from PubChem (CID 79991245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).