tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate

C19H21NO3 — CID 52936214

IUPACtert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](c2cccc3ccccc23)CC1=O
InChIInChI=1S/C19H21NO3/c1-19(2,3)23-18(22)20-12-14(11-17(20)21)16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14H,11-12H2,1-3H3/t14-/m0/s1
InChIKeyRQKUQXHOYAXVPP-AWEZNQCLSA-N
MW311.38 g/mol
LogP4.09
Rot. Bonds1

About tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate

tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate (PubChem CID 52936214) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate
PubChem CID52936214
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nametert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](c2cccc3ccccc23)CC1=O
InChIInChI=1S/C19H21NO3/c1-19(2,3)23-18(22)20-12-14(11-17(20)21)16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14H,11-12H2,1-3H3/t14-/m0/s1
InChIKeyRQKUQXHOYAXVPP-AWEZNQCLSA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate (CID 52936214) is tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](c2cccc3ccccc23)CC1=O.
What is the InChIKey of tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate?
The InChIKey is RQKUQXHOYAXVPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(2,3)23-18(22)20-12-14(11-17(20)21)16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14H,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate?
tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-naphthalen-1-yl-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 52936214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).