(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H16N2O3S — CID 54954110

IUPAC(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NCCc1ccsc1
InChIInChI=1S/C12H16N2O3S/c15-11(16)10-2-1-6-14(10)12(17)13-5-3-9-4-7-18-8-9/h4,7-8,10H,1-3,5-6H2,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKeyJTGMJHGEOWMNRW-JTQLQIEISA-N
MW268.34 g/mol
LogP1.55
Rot. Bonds4

About (2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 54954110) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID54954110
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NCCc1ccsc1
InChIInChI=1S/C12H16N2O3S/c15-11(16)10-2-1-6-14(10)12(17)13-5-3-9-4-7-18-8-9/h4,7-8,10H,1-3,5-6H2,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKeyJTGMJHGEOWMNRW-JTQLQIEISA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071458
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
(2R,4R)-4-hydroxy-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999448
(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 75518225
(2S)-1-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78927419
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
CID 52656985
(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79756204
1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55174454
(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67253384
1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 54954110) is (2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)NCCc1ccsc1.
What is the InChIKey of (2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JTGMJHGEOWMNRW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(16)10-2-1-6-14(10)12(17)13-5-3-9-4-7-18-8-9/h4,7-8,10H,1-3,5-6H2,(H,13,17)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54954110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).