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

C8H9NO2S — CID 125461678

IUPAC5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid
SMILESN[C@H]1C[C@@H]1c1ccc(C(=O)O)s1
InChIInChI=1S/C8H9NO2S/c9-5-3-4(5)6-1-2-7(12-6)8(10)11/h1-2,4-5H,3,9H2,(H,10,11)/t4-,5-/m0/s1
InChIKeyHFVQDISCBPNNJU-WHFBIAKZSA-N
MW183.23 g/mol
LogP1.26
Rot. Bonds2

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

5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid (PubChem CID 125461678) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid
PubChem CID125461678
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid
SMILESN[C@H]1C[C@@H]1c1ccc(C(=O)O)s1
InChIInChI=1S/C8H9NO2S/c9-5-3-4(5)6-1-2-7(12-6)8(10)11/h1-2,4-5H,3,9H2,(H,10,11)/t4-,5-/m0/s1
InChIKeyHFVQDISCBPNNJU-WHFBIAKZSA-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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Related Compounds

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5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
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5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid (CID 125461678) is 5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid is N[C@H]1C[C@@H]1c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid?
The InChIKey is HFVQDISCBPNNJU-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H9NO2S/c9-5-3-4(5)6-1-2-7(12-6)8(10)11/h1-2,4-5H,3,9H2,(H,10,11)/t4-,5-/m0/s1.
What are the key properties of 5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid?
5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-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-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 125461678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).