1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid

C19H22N2O3 — CID 119355581

IUPAC1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(-n2c(C)cc(C(=O)N3CCCC3C(=O)O)c2C)c1
InChIInChI=1S/C19H22N2O3/c1-12-6-4-7-15(10-12)21-13(2)11-16(14(21)3)18(22)20-9-5-8-17(20)19(23)24/h4,6-7,10-11,17H,5,8-9H2,1-3H3,(H,23,24)
InChIKeySEJFWORGHWUQQR-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.09
Rot. Bonds3

About 1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid

1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355581) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119355581
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(-n2c(C)cc(C(=O)N3CCCC3C(=O)O)c2C)c1
InChIInChI=1S/C19H22N2O3/c1-12-6-4-7-15(10-12)21-13(2)11-16(14(21)3)18(22)20-9-5-8-17(20)19(23)24/h4,6-7,10-11,17H,5,8-9H2,1-3H3,(H,23,24)
InChIKeySEJFWORGHWUQQR-UHFFFAOYSA-N
XLogP3.09
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.09
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

(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370736
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
(2R)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidine-2-carboxylic acid
CID 99639870
(2S)-1-(2-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 110834780
(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid
CID 129414629
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2S)-1-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365218
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 28510403

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 119355581) is 1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid is Cc1cccc(-n2c(C)cc(C(=O)N3CCCC3C(=O)O)c2C)c1.
What is the InChIKey of 1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SEJFWORGHWUQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-6-4-7-15(10-12)21-13(2)11-16(14(21)3)18(22)20-9-5-8-17(20)19(23)24/h4,6-7,10-11,17H,5,8-9H2,1-3H3,(H,23,24).
What are the key properties of 1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid?
1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).