(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid

C20H20N2O4 — CID 119370650

IUPAC(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-21(16-9-3-2-4-10-16)18(23)14-7-5-8-15(13-14)19(24)22-12-6-11-17(22)20(25)26/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyWDZDTMHRYWZGFB-QGZVFWFLSA-N
MW352.39 g/mol
LogP2.65
Rot. Bonds4

About (2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119370650) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID119370650
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-21(16-9-3-2-4-10-16)18(23)14-7-5-8-15(13-14)19(24)22-12-6-11-17(22)20(25)26/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyWDZDTMHRYWZGFB-QGZVFWFLSA-N
XLogP2.65
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2S)-1-[3-(dimethylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 99713728
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431
N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide
CID 119650299
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78922123
1-[3-(methylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355631
(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 15320435
1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355514
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922398

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid (CID 119370650) is (2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid is CN(C(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1)c1ccccc1.
What is the InChIKey of (2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WDZDTMHRYWZGFB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-21(16-9-3-2-4-10-16)18(23)14-7-5-8-15(13-14)19(24)22-12-6-11-17(22)20(25)26/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).