2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid

C11H15NO2S2 — CID 63034813

IUPAC2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid
SMILESO=C(O)C(CCSc1cccs1)NC1CC1
InChIInChI=1S/C11H15NO2S2/c13-11(14)9(12-8-3-4-8)5-7-16-10-2-1-6-15-10/h1-2,6,8-9,12H,3-5,7H2,(H,13,14)
InChIKeyDVODNVQHJFFWMK-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.44
Rot. Bonds7

About 2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid

2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid (PubChem CID 63034813) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid
PubChem CID63034813
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid
SMILESO=C(O)C(CCSc1cccs1)NC1CC1
InChIInChI=1S/C11H15NO2S2/c13-11(14)9(12-8-3-4-8)5-7-16-10-2-1-6-15-10/h1-2,6,8-9,12H,3-5,7H2,(H,13,14)
InChIKeyDVODNVQHJFFWMK-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)sulfanyl-2-(cyclopropylamino)butanoic acid
CID 63035692
4-(4-tert-butylphenyl)sulfanyl-2-(cyclopropylamino)butanoic acid
CID 63033254
(2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid
CID 69098628
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
(2S)-4-hydroxy-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 107821680
4-hydroxy-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 61244401
methyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034472
2-(cyclopropylamino)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanoic acid
CID 63033404
ethyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034297
2-(cyclopropylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanoic acid
CID 65043177
2-(cyclopropylamino)-2-ethyl-5-thiophen-2-ylsulfanylpentanoic acid
CID 106807269
2-(cyclopropylamino)-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid
CID 104603883

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid (CID 63034813) is 2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid is O=C(O)C(CCSc1cccs1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid?
The InChIKey is DVODNVQHJFFWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c13-11(14)9(12-8-3-4-8)5-7-16-10-2-1-6-15-10/h1-2,6,8-9,12H,3-5,7H2,(H,13,14).
What are the key properties of 2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid?
2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid has a molecular weight of 257.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid is sourced from PubChem (CID 63034813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).