4-amino-3-(5-bromothiophen-2-yl)butanoic acid

C8H10BrNO2S — CID 10220920

IUPAC4-amino-3-(5-bromothiophen-2-yl)butanoic acid
SMILESNCC(CC(=O)O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNO2S/c9-7-2-1-6(13-7)5(4-10)3-8(11)12/h1-2,5H,3-4,10H2,(H,11,12)
InChIKeyAGSZIPFOQSAPON-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.03
Rot. Bonds4

About 4-amino-3-(5-bromothiophen-2-yl)butanoic acid

4-amino-3-(5-bromothiophen-2-yl)butanoic acid (PubChem CID 10220920) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 4-amino-3-(5-bromothiophen-2-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(5-bromothiophen-2-yl)butanoic acid
PubChem CID10220920
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name4-amino-3-(5-bromothiophen-2-yl)butanoic acid
SMILESNCC(CC(=O)O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNO2S/c9-7-2-1-6(13-7)5(4-10)3-8(11)12/h1-2,5H,3-4,10H2,(H,11,12)
InChIKeyAGSZIPFOQSAPON-UHFFFAOYSA-N
XLogP2.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-bromothiophen-2-yl)butanoic acid?
The IUPAC name of 4-amino-3-(5-bromothiophen-2-yl)butanoic acid (CID 10220920) is 4-amino-3-(5-bromothiophen-2-yl)butanoic acid.
What is the SMILES notation for 4-amino-3-(5-bromothiophen-2-yl)butanoic acid?
The canonical SMILES for 4-amino-3-(5-bromothiophen-2-yl)butanoic acid is NCC(CC(=O)O)c1ccc(Br)s1.
What is the InChIKey of 4-amino-3-(5-bromothiophen-2-yl)butanoic acid?
The InChIKey is AGSZIPFOQSAPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c9-7-2-1-6(13-7)5(4-10)3-8(11)12/h1-2,5H,3-4,10H2,(H,11,12).
What are the key properties of 4-amino-3-(5-bromothiophen-2-yl)butanoic acid?
4-amino-3-(5-bromothiophen-2-yl)butanoic acid has a molecular weight of 264.14 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-bromothiophen-2-yl)butanoic acid is sourced from PubChem (CID 10220920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).