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

C16H21NO4 — CID 52936003

IUPACtert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate
SMILESCOc1ccc([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-10-12(9-14(17)18)11-5-7-13(20-4)8-6-11/h5-8,12H,9-10H2,1-4H3/t12-/m0/s1
InChIKeyOEBVTYQAKIANIS-LBPRGKRZSA-N
MW291.35 g/mol
LogP2.95
Rot. Bonds2

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

tert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate (PubChem CID 52936003) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate
PubChem CID52936003
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nametert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate
SMILESCOc1ccc([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-10-12(9-14(17)18)11-5-7-13(20-4)8-6-11/h5-8,12H,9-10H2,1-4H3/t12-/m0/s1
InChIKeyOEBVTYQAKIANIS-LBPRGKRZSA-N
XLogP2.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate (CID 52936003) is tert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate is COc1ccc([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate?
The InChIKey is OEBVTYQAKIANIS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-10-12(9-14(17)18)11-5-7-13(20-4)8-6-11/h5-8,12H,9-10H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate?
tert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(4-methoxyphenyl)-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 52936003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).