(2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid

C19H20N2O3 — CID 23631625

IUPAC(2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)C(=O)N1
InChIInChI=1S/C19H20N2O3/c22-18-17(11-16(20-18)19(23)24)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,22)(H,23,24)/t16-,17-/m0/s1
InChIKeySMEHHVUQAAVBIM-IRXDYDNUSA-N
MW324.38 g/mol
LogP2.03
Rot. Bonds6

About (2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid

(2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 23631625) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID23631625
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)C(=O)N1
InChIInChI=1S/C19H20N2O3/c22-18-17(11-16(20-18)19(23)24)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,22)(H,23,24)/t16-,17-/m0/s1
InChIKeySMEHHVUQAAVBIM-IRXDYDNUSA-N
XLogP2.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid (CID 23631625) is (2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)C(=O)N1.
What is the InChIKey of (2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is SMEHHVUQAAVBIM-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18-17(11-16(20-18)19(23)24)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,22)(H,23,24)/t16-,17-/m0/s1.
What are the key properties of (2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid?
(2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23631625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).