(3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid

C15H20N2O3S — CID 120978523

IUPAC(3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCc1nc(CC(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cs1
InChIInChI=1S/C15H20N2O3S/c1-2-13-16-10(8-21-13)5-14(18)17-6-11(9-3-4-9)12(7-17)15(19)20/h8-9,11-12H,2-7H2,1H3,(H,19,20)/t11-,12+/m1/s1
InChIKeyYKORGLGVVAHITH-NEPJUHHUSA-N
MW308.40 g/mol
LogP1.82
Rot. Bonds5

About (3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 120978523) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID120978523
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCc1nc(CC(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cs1
InChIInChI=1S/C15H20N2O3S/c1-2-13-16-10(8-21-13)5-14(18)17-6-11(9-3-4-9)12(7-17)15(19)20/h8-9,11-12H,2-7H2,1H3,(H,19,20)/t11-,12+/m1/s1
InChIKeyYKORGLGVVAHITH-NEPJUHHUSA-N
XLogP1.82
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-4-cyclopropyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120978752
(3R,4R)-1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978191
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733
2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 56818959
3-[1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanoic acid
CID 75472515
1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 99788273
2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 94600648
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86866464
(3R,4R)-4-cyclopropyl-1-(2-naphthalen-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 120979377
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257378
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
(3R,4R)-4-cyclopropyl-1-[2-(4-methylsulfonylphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 133109698

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 120978523) is (3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid is CCc1nc(CC(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cs1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YKORGLGVVAHITH-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-13-16-10(8-21-13)5-14(18)17-6-11(9-3-4-9)12(7-17)15(19)20/h8-9,11-12H,2-7H2,1H3,(H,19,20)/t11-,12+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).