(3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid

C13H15NO3S — CID 125148455

IUPAC(3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2sccc2C2CC2)C1
InChIInChI=1S/C13H15NO3S/c15-12(14-5-3-9(7-14)13(16)17)11-10(4-6-18-11)8-1-2-8/h4,6,8-9H,1-3,5,7H2,(H,16,17)/t9-/m1/s1
InChIKeyKEVJPVNNXCFXGO-SECBINFHSA-N
MW265.33 g/mol
LogP2.17
Rot. Bonds3

About (3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 125148455) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is (3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID125148455
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name(3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2sccc2C2CC2)C1
InChIInChI=1S/C13H15NO3S/c15-12(14-5-3-9(7-14)13(16)17)11-10(4-6-18-11)8-1-2-8/h4,6,8-9H,1-3,5,7H2,(H,16,17)/t9-/m1/s1
InChIKeyKEVJPVNNXCFXGO-SECBINFHSA-N
XLogP2.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 119167865
1-(3-bromothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63804287
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95340985
(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026553
(5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 71884163
1-(4-tert-butyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119353708
methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
CID 78945614
4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid
CID 67400301
1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355098
1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354254

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 125148455) is (3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)c2sccc2C2CC2)C1.
What is the InChIKey of (3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KEVJPVNNXCFXGO-SECBINFHSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-12(14-5-3-9(7-14)13(16)17)11-10(4-6-18-11)8-1-2-8/h4,6,8-9H,1-3,5,7H2,(H,16,17)/t9-/m1/s1.
What are the key properties of (3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125148455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).