(3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid

C11H13N3O3S — CID 120980113

IUPAC(3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1C1CC1
InChIInChI=1S/C11H13N3O3S/c15-10(9-3-12-18-13-9)14-4-7(6-1-2-6)8(5-14)11(16)17/h3,6-8H,1-2,4-5H2,(H,16,17)/t7-,8+/m1/s1
InChIKeyPEMKGNQFYFOHEY-SFYZADRCSA-N
MW267.31 g/mol
LogP0.72
Rot. Bonds3

About (3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 120980113) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID120980113
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name(3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1C1CC1
InChIInChI=1S/C11H13N3O3S/c15-10(9-3-12-18-13-9)14-4-7(6-1-2-6)8(5-14)11(16)17/h3,6-8H,1-2,4-5H2,(H,16,17)/t7-,8+/m1/s1
InChIKeyPEMKGNQFYFOHEY-SFYZADRCSA-N
XLogP0.72
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 106671257
(3R,4R)-1-(5-carbamoylpyridine-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978262
(3R,4R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979764
(1S,4R,6R)-2-(1,2,5-thiadiazole-3-carbonyl)-2-azabicyclo[2.2.2]octane-6-carboxylic acid
CID 166304001
(3R,4R)-1-(4-chlorobenzoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979899
(3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978575
6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175147
(3R,4R)-4-cyclopropyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978925
(3R,4R)-4-cyclopropyl-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978348
(3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979141
(3S,4S)-4-cyclopropyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 72838996
(3R,4R)-4-cyclopropyl-1-(4-propan-2-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978340

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 120980113) is (3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PEMKGNQFYFOHEY-SFYZADRCSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-10(9-3-12-18-13-9)14-4-7(6-1-2-6)8(5-14)11(16)17/h3,6-8H,1-2,4-5H2,(H,16,17)/t7-,8+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120980113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).