methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate

C10H14BrNO2S — CID 115128348

IUPACmethyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,9(13)14-4)12(3)8-6-5-7(11)15-8/h5-6H,1-4H3
InChIKeyGMVRNBPVMMJYRM-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.90
Rot. Bonds3

About methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate

methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate (PubChem CID 115128348) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
PubChem CID115128348
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Namemethyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,9(13)14-4)12(3)8-6-5-7(11)15-8/h5-6H,1-4H3
InChIKeyGMVRNBPVMMJYRM-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128742
methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128347
methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate
CID 115128321
tert-butyl N,N-bis(5-bromothiophen-2-yl)carbamate
CID 102397076
methyl 2-(3-bromo-4-methoxy-N-methylanilino)-2-methylpropanoate
CID 115128349
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
methyl 2-(3,4-difluoro-N-methylanilino)-2-methylpropanoate
CID 115128358
methyl 3-[2-(5-bromothiophen-2-yl)ethyl-methylamino]-2,2-dimethylpropanoate
CID 115233714
2-[(5-bromothiophen-2-yl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899636
methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
CID 115128341
1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol
CID 115136851
N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate (CID 115128348) is methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate is COC(=O)C(C)(C)N(C)c1ccc(Br)s1.
What is the InChIKey of methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate?
The InChIKey is GMVRNBPVMMJYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-10(2,9(13)14-4)12(3)8-6-5-7(11)15-8/h5-6H,1-4H3.
What are the key properties of methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate?
methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate has a molecular weight of 292.20 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 115128348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).