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

C7H9NO2S — CID 92763509

IUPAC5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid
SMILESC[C@H](N)c1ccc(C(=O)O)s1
InChIInChI=1S/C7H9NO2S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-4H,8H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyPZSVHZMRCSAKTF-BYPYZUCNSA-N
MW171.22 g/mol
LogP1.47
Rot. Bonds2

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

5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid (PubChem CID 92763509) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid
PubChem CID92763509
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid
SMILESC[C@H](N)c1ccc(C(=O)O)s1
InChIInChI=1S/C7H9NO2S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-4H,8H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyPZSVHZMRCSAKTF-BYPYZUCNSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid (CID 92763509) is 5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid is C[C@H](N)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid?
The InChIKey is PZSVHZMRCSAKTF-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-4H,8H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of 5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid?
5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid has a molecular weight of 171.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 92763509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).