3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid

C11H10BrNO2S2 — CID 170872483

IUPAC3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid
SMILESNC(CC(=O)O)c1ccc(-c2ccc(Br)s2)s1
InChIInChI=1S/C11H10BrNO2S2/c12-10-4-3-9(17-10)8-2-1-7(16-8)6(13)5-11(14)15/h1-4,6H,5,13H2,(H,14,15)
InChIKeyRHOKOFXNIXSQFA-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.71
Rot. Bonds4

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

3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid (PubChem CID 170872483) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid
PubChem CID170872483
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC Name3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid
SMILESNC(CC(=O)O)c1ccc(-c2ccc(Br)s2)s1
InChIInChI=1S/C11H10BrNO2S2/c12-10-4-3-9(17-10)8-2-1-7(16-8)6(13)5-11(14)15/h1-4,6H,5,13H2,(H,14,15)
InChIKeyRHOKOFXNIXSQFA-UHFFFAOYSA-N
XLogP3.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(alphaS)-alpha-Amino-5-bromo-2-thiophenepropanoic acid
CID 2761814
2-Amino-2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 46885535
2-Amino-3-(5-bromothiophen-2-yl)propanoic acid
CID 4210281
(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-difluoropropanoic acid
CID 130620046
(3S)-3-amino-3-(5-bromothiophen-2-yl)-2,2-difluoropropanoic acid
CID 130642996
3-Amino-3-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid
CID 165664171
ethyl (3S)-3-amino-3-(5-bromothiophen-2-yl)-2-fluoropropanoate
CID 171240666
ethyl (3R)-3-amino-3-(5-bromothiophen-2-yl)-2-fluoropropanoate
CID 171247381
3-{[(4-Bromophenyl)sulfonyl]amino}-3-thien-2-ylpropanoic acid
CID 15993995
3-Amino-3-(5-methyl(2-thienyl))propanoic acid, chloride
CID 53297512
3-Amino-3-(5-ethylthiophen-2-yl)propanoic acid
CID 62319593
3-amino-3-(5-methylthiophen-2-yl)propanoic Acid
CID 4693650

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid?
The IUPAC name of 3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid (CID 170872483) is 3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid.
What is the SMILES notation for 3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid?
The canonical SMILES for 3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid is NC(CC(=O)O)c1ccc(-c2ccc(Br)s2)s1.
What is the InChIKey of 3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid?
The InChIKey is RHOKOFXNIXSQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c12-10-4-3-9(17-10)8-2-1-7(16-8)6(13)5-11(14)15/h1-4,6H,5,13H2,(H,14,15).
What are the key properties of 3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid?
3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid has a molecular weight of 332.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid is sourced from PubChem (CID 170872483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).