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

C8H10BrNO2S — CID 43467211

IUPAC2-[(5-bromothiophen-2-yl)methylamino]propanoic acid
SMILESCC(NCc1ccc(Br)s1)C(=O)O
InChIInChI=1S/C8H10BrNO2S/c1-5(8(11)12)10-4-6-2-3-7(9)13-6/h2-3,5,10H,4H2,1H3,(H,11,12)
InChIKeyUVNZQPPPSOKSTH-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.07
Rot. Bonds4

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

2-[(5-bromothiophen-2-yl)methylamino]propanoic acid (PubChem CID 43467211) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methylamino]propanoic acid
PubChem CID43467211
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name2-[(5-bromothiophen-2-yl)methylamino]propanoic acid
SMILESCC(NCc1ccc(Br)s1)C(=O)O
InChIInChI=1S/C8H10BrNO2S/c1-5(8(11)12)10-4-6-2-3-7(9)13-6/h2-3,5,10H,4H2,1H3,(H,11,12)
InChIKeyUVNZQPPPSOKSTH-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]propanoic acid?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]propanoic acid (CID 43467211) is 2-[(5-bromothiophen-2-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methylamino]propanoic acid?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methylamino]propanoic acid is CC(NCc1ccc(Br)s1)C(=O)O.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methylamino]propanoic acid?
The InChIKey is UVNZQPPPSOKSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-5(8(11)12)10-4-6-2-3-7(9)13-6/h2-3,5,10H,4H2,1H3,(H,11,12).
What are the key properties of 2-[(5-bromothiophen-2-yl)methylamino]propanoic acid?
2-[(5-bromothiophen-2-yl)methylamino]propanoic acid has a molecular weight of 264.14 g/mol, XLogP of 2.07, 4 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]propanoic acid is sourced from PubChem (CID 43467211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).