2-amino-3-(5-bromothiophen-3-yl)propanoic acid

C7H8BrNO2S — CID 82665215

IUPAC2-amino-3-(5-bromothiophen-3-yl)propanoic acid
SMILESNC(Cc1csc(Br)c1)C(=O)O
InChIInChI=1S/C7H8BrNO2S/c8-6-2-4(3-12-6)1-5(9)7(10)11/h2-3,5H,1,9H2,(H,10,11)
InChIKeyAIKYXJKPTHOFIR-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-3-(5-bromothiophen-3-yl)propanoic acid

2-amino-3-(5-bromothiophen-3-yl)propanoic acid (PubChem CID 82665215) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-amino-3-(5-bromothiophen-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-bromothiophen-3-yl)propanoic acid
PubChem CID82665215
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name2-amino-3-(5-bromothiophen-3-yl)propanoic acid
SMILESNC(Cc1csc(Br)c1)C(=O)O
InChIInChI=1S/C7H8BrNO2S/c8-6-2-4(3-12-6)1-5(9)7(10)11/h2-3,5H,1,9H2,(H,10,11)
InChIKeyAIKYXJKPTHOFIR-UHFFFAOYSA-N
XLogP1.47
TPSA63.32 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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[(5-bromothiophen-3-yl)methylsulfanyl]propanoic acid
CID 107773669
(2S)-1-(5-bromothiophen-3-yl)propan-2-amine
CID 96875895
(2S)-2-[(5-bromothiophen-3-yl)methoxy]propanoic acid
CID 104876000
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76909957
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-[(5-bromothiophen-3-yl)methylsulfanyl]-3-phenylpropanoic acid
CID 60793189
[4-[(2S)-2-amino-2-carboxyethyl]-2,6-difluorophenyl](211At)astatine-211
CID 86279563
(5-bromothiophen-3-yl)methanamine
CID 23533436
(2R)-4-amino-2-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 107826989
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromothiophen-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-bromothiophen-3-yl)propanoic acid (CID 82665215) is 2-amino-3-(5-bromothiophen-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-bromothiophen-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-bromothiophen-3-yl)propanoic acid is NC(Cc1csc(Br)c1)C(=O)O.
What is the InChIKey of 2-amino-3-(5-bromothiophen-3-yl)propanoic acid?
The InChIKey is AIKYXJKPTHOFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c8-6-2-4(3-12-6)1-5(9)7(10)11/h2-3,5H,1,9H2,(H,10,11).
What are the key properties of 2-amino-3-(5-bromothiophen-3-yl)propanoic acid?
2-amino-3-(5-bromothiophen-3-yl)propanoic acid has a molecular weight of 250.12 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromothiophen-3-yl)propanoic acid is sourced from PubChem (CID 82665215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).