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

C10H14BrNO2S — CID 43631693

IUPAC2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1ccc(Br)s1)C(=O)O
InChIInChI=1S/C10H14BrNO2S/c1-2-3-8(10(13)14)12-6-7-4-5-9(11)15-7/h4-5,8,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyVRVHXGIWQFMGNK-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.85
Rot. Bonds6

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

2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid (PubChem CID 43631693) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid
PubChem CID43631693
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1ccc(Br)s1)C(=O)O
InChIInChI=1S/C10H14BrNO2S/c1-2-3-8(10(13)14)12-6-7-4-5-9(11)15-7/h4-5,8,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyVRVHXGIWQFMGNK-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.85
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]pentanoic acid?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid (CID 43631693) is 2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid is CCCC(NCc1ccc(Br)s1)C(=O)O.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid?
The InChIKey is VRVHXGIWQFMGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-2-3-8(10(13)14)12-6-7-4-5-9(11)15-7/h4-5,8,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid?
2-[(5-bromothiophen-2-yl)methylamino]pentanoic acid has a molecular weight of 292.20 g/mol, XLogP of 2.85, 6 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]pentanoic acid is sourced from PubChem (CID 43631693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).