(3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid

C14H19NO3S — CID 164642390

IUPAC(3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@H]1CN(C(=O)c2ccc(C)s2)C[C@@H]1C(=O)O
InChIInChI=1S/C14H19NO3S/c1-3-4-10-7-15(8-11(10)14(17)18)13(16)12-6-5-9(2)19-12/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,17,18)/t10-,11-/m0/s1
InChIKeyHKOLHABNNDIHPK-QWRGUYRKSA-N
MW281.38 g/mol
LogP2.63
Rot. Bonds4

About (3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid (PubChem CID 164642390) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
PubChem CID164642390
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name(3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@H]1CN(C(=O)c2ccc(C)s2)C[C@@H]1C(=O)O
InChIInChI=1S/C14H19NO3S/c1-3-4-10-7-15(8-11(10)14(17)18)13(16)12-6-5-9(2)19-12/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,17,18)/t10-,11-/m0/s1
InChIKeyHKOLHABNNDIHPK-QWRGUYRKSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl({(3R*,4R*)-4-(hydroxymethyl)-1-[(5-methyl-2-thienyl)carbonyl]pyrrolidin-3-yl}methyl)amino]ethanol
CID 70781611
(3S*,4S*)-4-isopropyl-1-[(3-methyl-2-thienyl)carbonyl]-3-pyrrolidinecarboxylic acid
CID 72856093
(3S*,4S*)-4-isopropyl-1-[(5-methyl-3-thienyl)carbonyl]-3-pyrrolidinecarboxylic acid
CID 72888623
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid
CID 760311
(3R*,4R*)-3-cyclopropyl-4-methyl-1-[(5-methyl-2-thienyl)carbonyl]pyrrolidin-3-ol
CID 70729223
1-Methyl-8-[(5-methyl-2-thienyl)carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72846222
(3R,4S)-4-(4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 16668527
1-(5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031443
(2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922097
(3R,4S)-4-(2-Fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 95807308
(3R,4R)-4-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979073
(3S)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 124467426

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid (CID 164642390) is (3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid is CCC[C@H]1CN(C(=O)c2ccc(C)s2)C[C@@H]1C(=O)O.
What is the InChIKey of (3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
The InChIKey is HKOLHABNNDIHPK-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-4-10-7-15(8-11(10)14(17)18)13(16)12-6-5-9(2)19-12/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,17,18)/t10-,11-/m0/s1.
What are the key properties of (3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-methylthiophene-2-carbonyl)-4-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 164642390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).