2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid

C10H14BrNO2S — CID 78969414

IUPAC2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid
SMILESCCC(C)(NCc1ccc(Br)s1)C(=O)O
InChIInChI=1S/C10H14BrNO2S/c1-3-10(2,9(13)14)12-6-7-4-5-8(11)15-7/h4-5,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyHMTZRCLVZAYYKO-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.85
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid

2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid (PubChem CID 78969414) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid
PubChem CID78969414
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid
SMILESCCC(C)(NCc1ccc(Br)s1)C(=O)O
InChIInChI=1S/C10H14BrNO2S/c1-3-10(2,9(13)14)12-6-7-4-5-8(11)15-7/h4-5,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyHMTZRCLVZAYYKO-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl]-2-methylbutanoic acid
CID 62740253
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-ethylbutanoic acid
CID 79804249
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 18073219
4-[(5-bromothiophen-2-yl)methylamino]-2,2-dimethylbutanoic acid
CID 115221121
2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride
CID 115618450
N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine
CID 115609606
2-[(2-bromophenyl)methylamino]-2-methylbutanoic acid
CID 78971162
2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 61265834
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788
2-[(5-bromothiophen-2-yl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899636
3-amino-2-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899923

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid (CID 78969414) is 2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid is CCC(C)(NCc1ccc(Br)s1)C(=O)O.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid?
The InChIKey is HMTZRCLVZAYYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-10(2,9(13)14)12-6-7-4-5-8(11)15-7/h4-5,12H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid?
2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid has a molecular weight of 292.20 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid is sourced from PubChem (CID 78969414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).