(3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid

C18H21N3O3 — CID 133117712

IUPAC(3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2C[C@H](C(=O)O)[C@@H](c3ccccn3)C2)c(C)n1C
InChIInChI=1S/C18H21N3O3/c1-11-8-13(12(2)20(11)3)17(22)21-9-14(15(10-21)18(23)24)16-6-4-5-7-19-16/h4-8,14-15H,9-10H2,1-3H3,(H,23,24)/t14-,15-/m0/s1
InChIKeyWHAGPDIPCSMNCK-GJZGRUSLSA-N
MW327.38 g/mol
LogP1.98
Rot. Bonds3

About (3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid

(3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 133117712) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID133117712
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2C[C@H](C(=O)O)[C@@H](c3ccccn3)C2)c(C)n1C
InChIInChI=1S/C18H21N3O3/c1-11-8-13(12(2)20(11)3)17(22)21-9-14(15(10-21)18(23)24)16-6-4-5-7-19-16/h4-8,14-15H,9-10H2,1-3H3,(H,23,24)/t14-,15-/m0/s1
InChIKeyWHAGPDIPCSMNCK-GJZGRUSLSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3S,4S)-1-(6-methylpyridine-2-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70761952
1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 82395989
(3R,4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 133112556
(3R,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 133123299
(3S,4S)-1-(2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70771392
(3S,4S)-1-[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70780920
(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropanoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 72880889
(3S,4S)-4-phenyl-1-(pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 167966048
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
(2R,3R)-1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116249
(3S,4R)-4-phenyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 70716066
(3R,4R)-4-cyclopropyl-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978795

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 133117712) is (3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1cc(C(=O)N2C[C@H](C(=O)O)[C@@H](c3ccccn3)C2)c(C)n1C.
What is the InChIKey of (3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WHAGPDIPCSMNCK-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-8-13(12(2)20(11)3)17(22)21-9-14(15(10-21)18(23)24)16-6-4-5-7-19-16/h4-8,14-15H,9-10H2,1-3H3,(H,23,24)/t14-,15-/m0/s1.
What are the key properties of (3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
(3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 133117712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).