tert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate

C15H18ClNO3 — CID 11120001

IUPACtert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C15H18ClNO3/c1-15(2,3)20-14(19)17-9-11(8-13(17)18)10-4-6-12(16)7-5-10/h4-7,11H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyOIIQWVMLKLFYIA-NSHDSACASA-N
MW295.77 g/mol
LogP3.59
Rot. Bonds1

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

tert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate (PubChem CID 11120001) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is tert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate
PubChem CID11120001
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Nametert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C15H18ClNO3/c1-15(2,3)20-14(19)17-9-11(8-13(17)18)10-4-6-12(16)7-5-10/h4-7,11H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyOIIQWVMLKLFYIA-NSHDSACASA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.59
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-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate (CID 11120001) is tert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of tert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate?
The InChIKey is OIIQWVMLKLFYIA-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-15(2,3)20-14(19)17-9-11(8-13(17)18)10-4-6-12(16)7-5-10/h4-7,11H,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate?
tert-butyl (4R)-4-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate has a molecular weight of 295.77 g/mol, XLogP of 3.59, 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-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11120001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).