(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

C10H11NO3S — CID 714595

IUPAC(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C10H11NO3S/c12-9(8-4-2-6-15-8)11-5-1-3-7(11)10(13)14/h2,4,6-7H,1,3,5H2,(H,13,14)/t7-/m1/s1
InChIKeyIILFMWQTZZFXTM-SSDOTTSWSA-N
MW225.27 g/mol
LogP1.44
Rot. Bonds2

About (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 714595) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID714595
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C10H11NO3S/c12-9(8-4-2-6-15-8)11-5-1-3-7(11)10(13)14/h2,4,6-7H,1,3,5H2,(H,13,14)/t7-/m1/s1
InChIKeyIILFMWQTZZFXTM-SSDOTTSWSA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

l-Proline, N-(2-thienylcarbonyl)-, methyl ester
CID 531389
((2-Thienylcarbonyl)amino)acetic acid
CID 679227
1-(Thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 2740713
Thenoyl methionate
CID 40542948
3-Methyl-2-((thiophen-2-yl)formamido)butanoic acid
CID 2771110
2-(N-methyl-1-(thiophen-2-yl)formamido)acetic acid
CID 6422196
(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 714593
1-(5-Chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 22557517
1-{[5-(3-Hydroxy-3-methyl-1-butyn-1-yl)-2-thienyl]carbonyl}proline
CID 2965196
(2S)-5-(diaminomethylideneamino)-2-(thiophene-2-carbonylamino)pentanoic acid
CID 45139615
Ethyl 2-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 49778644
Ethyl 2-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 49792247

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 714595) is (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IILFMWQTZZFXTM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9(8-4-2-6-15-8)11-5-1-3-7(11)10(13)14/h2,4,6-7H,1,3,5H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 714595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).