(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride

C9H12ClNO2S — CID 122155790

IUPAC(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC[C@@H](c2cccs2)N1
InChIInChI=1S/C9H11NO2S.ClH/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8;/h1-2,5-7,10H,3-4H2,(H,11,12);1H/t6-,7-;/m0./s1
InChIKeyJVKMPYBKGPHUEY-LEUCUCNGSA-N
MW233.72 g/mol
LogP2.05
Rot. Bonds2

About (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride

(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 122155790) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID122155790
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC[C@@H](c2cccs2)N1
InChIInChI=1S/C9H11NO2S.ClH/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8;/h1-2,5-7,10H,3-4H2,(H,11,12);1H/t6-,7-;/m0./s1
InChIKeyJVKMPYBKGPHUEY-LEUCUCNGSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thien-2-ylthiazolidine-4-carboxylic acid
CID 98151
(Methylamino)(2-Thienyl)Acetic Acid Hydrochloride
CID 50944369
(2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
CID 686595
2-(5-ethylthiophen-2-yl)-1,3-thiazolidine-4-carboxylic Acid
CID 3441190
2-Acetamido-3-(thiophen-2-yl)propanoic acid
CID 321143
(R)-2-Thiophen-2-ylthiazolidine-4-carboxylic acid
CID 6710826
methyl (2S,4S,5R)-4-methyl-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2-carboxylate
CID 134963861
2-(5-Ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 55062413
rac-(2R,5R)-5-(thiophen-2-yl)pyrrolidine-2-carboxylic acid
CID 55270637
(2S)-2-amino-3-[5-[[(2-fluoro-2-iminoethyl)amino]methyl]thiophen-2-yl]propanoic acid
CID 70299183
rac-(2R,5R)-5-(thiophen-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 165924554
2-(Propanoylamino)-3-thiophen-2-ylpropanoic acid
CID 321162

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride (CID 122155790) is (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CC[C@@H](c2cccs2)N1.
What is the InChIKey of (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is JVKMPYBKGPHUEY-LEUCUCNGSA-N. The full InChI is InChI=1S/C9H11NO2S.ClH/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8;/h1-2,5-7,10H,3-4H2,(H,11,12);1H/t6-,7-;/m0./s1.
What are the key properties of (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 233.72 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 122155790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).