5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid

C8H11NO2S — CID 55270481

IUPAC5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid
SMILESCC[C@H](N)c1ccc(C(=O)O)s1
InChIInChI=1S/C8H11NO2S/c1-2-5(9)6-3-4-7(12-6)8(10)11/h3-5H,2,9H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyNTSCVLQMZMOFPW-YFKPBYRVSA-N
MW185.25 g/mol
LogP1.86
Rot. Bonds3

About 5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid

5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid (PubChem CID 55270481) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid
PubChem CID55270481
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid
SMILESCC[C@H](N)c1ccc(C(=O)O)s1
InChIInChI=1S/C8H11NO2S/c1-2-5(9)6-3-4-7(12-6)8(10)11/h3-5H,2,9H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyNTSCVLQMZMOFPW-YFKPBYRVSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid (CID 55270481) is 5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid is CC[C@H](N)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid?
The InChIKey is NTSCVLQMZMOFPW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-5(9)6-3-4-7(12-6)8(10)11/h3-5H,2,9H2,1H3,(H,10,11)/t5-/m0/s1.
What are the key properties of 5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid?
5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid has a molecular weight of 185.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 55270481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).