(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid

C19H20N2O4 — CID 124688795

IUPAC(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C19H20N2O4/c1-25-15-8-6-14(7-9-15)20-17-5-3-2-4-16(17)18(22)21-11-10-13(12-21)19(23)24/h2-9,13,20H,10-12H2,1H3,(H,23,24)/t13-/m1/s1
InChIKeyQBUFYLMXOJZYSF-CYBMUJFWSA-N
MW340.38 g/mol
LogP2.99
Rot. Bonds5

About (3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid

(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid (PubChem CID 124688795) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid
PubChem CID124688795
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C19H20N2O4/c1-25-15-8-6-14(7-9-15)20-17-5-3-2-4-16(17)18(22)21-11-10-13(12-21)19(23)24/h2-9,13,20H,10-12H2,1H3,(H,23,24)/t13-/m1/s1
InChIKeyQBUFYLMXOJZYSF-CYBMUJFWSA-N
XLogP2.99
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methoxyanilino)phenyl]methanone
CID 119635753
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride
CID 119517512
methyl 1-[2-[4-(difluoromethoxy)anilino]benzoyl]piperidine-4-carboxylate
CID 60605734
(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
CID 46472653
1-(2-acetylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353894
(2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone
CID 86991464
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
N-[1-(2-anilinobenzoyl)pyrrolidin-3-yl]acetamide
CID 154864837
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63007028
1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397745
N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 56504081

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid (CID 124688795) is (3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid is COc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QBUFYLMXOJZYSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-25-15-8-6-14(7-9-15)20-17-5-3-2-4-16(17)18(22)21-11-10-13(12-21)19(23)24/h2-9,13,20H,10-12H2,1H3,(H,23,24)/t13-/m1/s1.
What are the key properties of (3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124688795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).