(2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C19H20N2O3 — CID 86287729

IUPAC(2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18(23)17-11-6-12-21(17)19(24)20-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,20,24)(H,22,23)/t17-/m1/s1
InChIKeyLSBMUKVOCTWLFP-QGZVFWFLSA-N
MW324.38 g/mol
LogP3.36
Rot. Bonds4

About (2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 86287729) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID86287729
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18(23)17-11-6-12-21(17)19(24)20-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,20,24)(H,22,23)/t17-/m1/s1
InChIKeyLSBMUKVOCTWLFP-QGZVFWFLSA-N
XLogP3.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 86287729) is (2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of (2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LSBMUKVOCTWLFP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(23)17-11-6-12-21(17)19(24)20-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,20,24)(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-benzylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86287729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).