(3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide

C20H23N3O2 — CID 70685980

IUPAC(3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CNC[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(22-11-15-7-3-1-4-8-15)17-13-21-14-18(17)20(25)23-12-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,22,24)(H,23,25)/t17-,18-/m1/s1
InChIKeyACFLFTASFIWDPS-QZTJIDSGSA-N
MW337.42 g/mol
LogP1.45
Rot. Bonds6

About (3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide

(3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide (PubChem CID 70685980) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide
PubChem CID70685980
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CNC[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(22-11-15-7-3-1-4-8-15)17-13-21-14-18(17)20(25)23-12-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,22,24)(H,23,25)/t17-,18-/m1/s1
InChIKeyACFLFTASFIWDPS-QZTJIDSGSA-N
XLogP1.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide (CID 70685980) is (3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide is O=C(NCc1ccccc1)[C@@H]1CNC[C@H]1C(=O)NCc1ccccc1.
What is the InChIKey of (3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide?
The InChIKey is ACFLFTASFIWDPS-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(22-11-15-7-3-1-4-8-15)17-13-21-14-18(17)20(25)23-12-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,22,24)(H,23,25)/t17-,18-/m1/s1.
What are the key properties of (3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide?
(3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 70685980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).