1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate

C24H23NO3 — CID 10948739

IUPAC1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate
SMILESCC(OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H23NO3/c1-17(20-14-7-12-18-9-5-6-13-21(18)20)28-24(27)22-15-8-16-25(22)23(26)19-10-3-2-4-11-19/h2-7,9-14,17,22H,8,15-16H2,1H3/t17?,22-/m0/s1
InChIKeyZWORLYLXTKHBAV-UGNFMNBCSA-N
MW373.45 g/mol
LogP4.75
Rot. Bonds4

About 1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate

1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate (PubChem CID 10948739) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate
PubChem CID10948739
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate
SMILESCC(OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H23NO3/c1-17(20-14-7-12-18-9-5-6-13-21(18)20)28-24(27)22-15-8-16-25(22)23(26)19-10-3-2-4-11-19/h2-7,9-14,17,22H,8,15-16H2,1H3/t17?,22-/m0/s1
InChIKeyZWORLYLXTKHBAV-UGNFMNBCSA-N
XLogP4.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate?
The IUPAC name of 1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate (CID 10948739) is 1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate?
The canonical SMILES for 1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate is CC(OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate?
The InChIKey is ZWORLYLXTKHBAV-UGNFMNBCSA-N. The full InChI is InChI=1S/C24H23NO3/c1-17(20-14-7-12-18-9-5-6-13-21(18)20)28-24(27)22-15-8-16-25(22)23(26)19-10-3-2-4-11-19/h2-7,9-14,17,22H,8,15-16H2,1H3/t17?,22-/m0/s1.
What are the key properties of 1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate?
1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 10948739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).