tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate

C19H25NO5 — CID 135027666

IUPACtert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate
SMILESCOC(=O)CC[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H25NO5/c1-18(2,3)25-17(23)20-13-12-19(16(20)22,11-10-15(21)24-4)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3/t19-/m1/s1
InChIKeyKACNSSFWFBZJGY-LJQANCHMSA-N
MW347.41 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate

tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate (PubChem CID 135027666) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate
PubChem CID135027666
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Nametert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate
SMILESCOC(=O)CC[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H25NO5/c1-18(2,3)25-17(23)20-13-12-19(16(20)22,11-10-15(21)24-4)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3/t19-/m1/s1
InChIKeyKACNSSFWFBZJGY-LJQANCHMSA-N
XLogP3.05
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate (CID 135027666) is tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate is COC(=O)CC[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate?
The InChIKey is KACNSSFWFBZJGY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25NO5/c1-18(2,3)25-17(23)20-13-12-19(16(20)22,11-10-15(21)24-4)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3/t19-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 135027666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).