(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid

C18H20N2O3 — CID 119370736

IUPAC(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@@H]2C(=O)O)c(C)n1-c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-12-11-15(13(2)20(12)14-7-4-3-5-8-14)17(21)19-10-6-9-16(19)18(22)23/h3-5,7-8,11,16H,6,9-10H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyGLYKTKIKFYPYQS-MRXNPFEDSA-N
MW312.37 g/mol
LogP2.78
Rot. Bonds3

About (2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119370736) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119370736
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@@H]2C(=O)O)c(C)n1-c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-12-11-15(13(2)20(12)14-7-4-3-5-8-14)17(21)19-10-6-9-16(19)18(22)23/h3-5,7-8,11,16H,6,9-10H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyGLYKTKIKFYPYQS-MRXNPFEDSA-N
XLogP2.78
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355581
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110883810
(2S)-1-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365218
(2R)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidine-2-carboxylic acid
CID 99639870
(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid
CID 129414629
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
(4-aminopiperidin-1-yl)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanone
CID 119372805
[1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 60559316
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 99812799
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 46798353

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 119370736) is (2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid is Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O)c(C)n1-c1ccccc1.
What is the InChIKey of (2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GLYKTKIKFYPYQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-11-15(13(2)20(12)14-7-4-3-5-8-14)17(21)19-10-6-9-16(19)18(22)23/h3-5,7-8,11,16H,6,9-10H2,1-2H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).