ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate

C24H22N2O4 — CID 71581389

IUPACethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2cccc3ccccc23)CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-2-30-24(29)22-20(19-14-8-12-16-9-6-7-13-18(16)19)15-21(27)26(22)25-23(28)17-10-4-3-5-11-17/h3-14,20,22H,2,15H2,1H3,(H,25,28)/t20-,22+/m0/s1
InChIKeyNUURAJSLASAISA-RBBKRZOGSA-N
MW402.45 g/mol
LogP3.43
Rot. Bonds5

About ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate

ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate (PubChem CID 71581389) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
PubChem CID71581389
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Nameethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2cccc3ccccc23)CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-2-30-24(29)22-20(19-14-8-12-16-9-6-7-13-18(16)19)15-21(27)26(22)25-23(28)17-10-4-3-5-11-17/h3-14,20,22H,2,15H2,1H3,(H,25,28)/t20-,22+/m0/s1
InChIKeyNUURAJSLASAISA-RBBKRZOGSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate (CID 71581389) is ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate is CCOC(=O)[C@H]1[C@H](c2cccc3ccccc23)CC(=O)N1NC(=O)c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is NUURAJSLASAISA-RBBKRZOGSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-2-30-24(29)22-20(19-14-8-12-16-9-6-7-13-18(16)19)15-21(27)26(22)25-23(28)17-10-4-3-5-11-17/h3-14,20,22H,2,15H2,1H3,(H,25,28)/t20-,22+/m0/s1.
What are the key properties of ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate?
ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-1-benzamido-3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 71581389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).