(2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C20H22N2O3 — CID 86288087

IUPAC(2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(-c2ccccc2)c(NC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C20H22N2O3/c1-2-14-10-11-16(15-7-4-3-5-8-15)17(13-14)21-20(25)22-12-6-9-18(22)19(23)24/h3-5,7-8,10-11,13,18H,2,6,9,12H2,1H3,(H,21,25)(H,23,24)/t18-/m1/s1
InChIKeyKTLLDNPPVRTLFX-GOSISDBHSA-N
MW338.41 g/mol
LogP4.00
Rot. Bonds4

About (2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 86288087) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID86288087
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(-c2ccccc2)c(NC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C20H22N2O3/c1-2-14-10-11-16(15-7-4-3-5-8-15)17(13-14)21-20(25)22-12-6-9-18(22)19(23)24/h3-5,7-8,10-11,13,18H,2,6,9,12H2,1H3,(H,21,25)(H,23,24)/t18-/m1/s1
InChIKeyKTLLDNPPVRTLFX-GOSISDBHSA-N
XLogP4.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 86288087) is (2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCc1ccc(-c2ccccc2)c(NC(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KTLLDNPPVRTLFX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-14-10-11-16(15-7-4-3-5-8-15)17(13-14)21-20(25)22-12-6-9-18(22)19(23)24/h3-5,7-8,10-11,13,18H,2,6,9,12H2,1H3,(H,21,25)(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-ethyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86288087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).