2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid

C7H8BrNO2S — CID 130524708

IUPAC2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1csc(Br)c1
InChIInChI=1S/C7H8BrNO2S/c1-9-6(7(10)11)4-2-5(8)12-3-4/h2-3,6,9H,1H3,(H,10,11)
InChIKeyOVEHUBQODLVWBL-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.86
Rot. Bonds3

About 2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid

2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid (PubChem CID 130524708) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid
PubChem CID130524708
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1csc(Br)c1
InChIInChI=1S/C7H8BrNO2S/c1-9-6(7(10)11)4-2-5(8)12-3-4/h2-3,6,9H,1H3,(H,10,11)
InChIKeyOVEHUBQODLVWBL-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine
CID 105083401
(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid
CID 93280068
1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine
CID 105158411
1-(5-bromothiophen-3-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 130719467
1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
CID 105157259
2-(4-ethylsulfanylphenyl)-2-(methylamino)acetic acid
CID 82473470
1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol
CID 105133536
2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353273
2-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285378
1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163785
1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine
CID 105182683
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid (CID 130524708) is 2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid is CNC(C(=O)O)c1csc(Br)c1.
What is the InChIKey of 2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid?
The InChIKey is OVEHUBQODLVWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-9-6(7(10)11)4-2-5(8)12-3-4/h2-3,6,9H,1H3,(H,10,11).
What are the key properties of 2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid?
2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid has a molecular weight of 250.12 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid is sourced from PubChem (CID 130524708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).