5-(2-aminocyclopropyl)thiophene-3-carboxylic acid

C8H9NO2S — CID 130253514

IUPAC5-(2-aminocyclopropyl)thiophene-3-carboxylic acid
SMILESNC1CC1c1cc(C(=O)O)cs1
InChIInChI=1S/C8H9NO2S/c9-6-2-5(6)7-1-4(3-12-7)8(10)11/h1,3,5-6H,2,9H2,(H,10,11)
InChIKeyYZVHOZLMMPODHH-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.26
Rot. Bonds2

About 5-(2-aminocyclopropyl)thiophene-3-carboxylic acid

5-(2-aminocyclopropyl)thiophene-3-carboxylic acid (PubChem CID 130253514) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-(2-aminocyclopropyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminocyclopropyl)thiophene-3-carboxylic acid
PubChem CID130253514
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name5-(2-aminocyclopropyl)thiophene-3-carboxylic acid
SMILESNC1CC1c1cc(C(=O)O)cs1
InChIInChI=1S/C8H9NO2S/c9-6-2-5(6)7-1-4(3-12-7)8(10)11/h1,3,5-6H,2,9H2,(H,10,11)
InChIKeyYZVHOZLMMPODHH-UHFFFAOYSA-N
XLogP1.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminocyclopropyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(2-aminocyclopropyl)thiophene-3-carboxylic acid (CID 130253514) is 5-(2-aminocyclopropyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(2-aminocyclopropyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(2-aminocyclopropyl)thiophene-3-carboxylic acid is NC1CC1c1cc(C(=O)O)cs1.
What is the InChIKey of 5-(2-aminocyclopropyl)thiophene-3-carboxylic acid?
The InChIKey is YZVHOZLMMPODHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c9-6-2-5(6)7-1-4(3-12-7)8(10)11/h1,3,5-6H,2,9H2,(H,10,11).
What are the key properties of 5-(2-aminocyclopropyl)thiophene-3-carboxylic acid?
5-(2-aminocyclopropyl)thiophene-3-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminocyclopropyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 130253514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).