5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid

C7H9NO2S — CID 170904569

IUPAC5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid
SMILESC[C@@H](N)c1cc(C(=O)O)cs1
InChIInChI=1S/C7H9NO2S/c1-4(8)6-2-5(3-11-6)7(9)10/h2-4H,8H2,1H3,(H,9,10)/t4-/m1/s1
InChIKeyYHHDUQPEYKOSPJ-SCSAIBSYSA-N
MW171.22 g/mol
LogP1.47
Rot. Bonds2

About 5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid

5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid (PubChem CID 170904569) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid
PubChem CID170904569
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid
SMILESC[C@@H](N)c1cc(C(=O)O)cs1
InChIInChI=1S/C7H9NO2S/c1-4(8)6-2-5(3-11-6)7(9)10/h2-4H,8H2,1H3,(H,9,10)/t4-/m1/s1
InChIKeyYHHDUQPEYKOSPJ-SCSAIBSYSA-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

Analyze 5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-amino-1,2-dihydroxypropyl)thiophene-3-carboxylic acid
CID 170827639
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
benzene-1,3,5-tricarboxylic acid;propane-1,2-diamine
CID 174924013
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid
CID 92763509
5-[(1R)-1-aminoethyl]thiophene-2-carboxylic acid
CID 58418334
5-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 110451029
5-(difluoromethyl)thiophene-3-carboxamide
CID 18938084
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid
CID 130623525
3-[(1R)-1-aminoethyl]-4-ethylbenzoic acid
CID 55295793
3-(1-aminoethyl)-5-hydroxybenzoic acid
CID 130001368

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid (CID 170904569) is 5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid is C[C@@H](N)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid?
The InChIKey is YHHDUQPEYKOSPJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-4(8)6-2-5(3-11-6)7(9)10/h2-4H,8H2,1H3,(H,9,10)/t4-/m1/s1.
What are the key properties of 5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid?
5-[(1R)-1-aminoethyl]thiophene-3-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-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 170904569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).