tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate

C17H23NO4 — CID 11289720

IUPACtert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1COCc1ccccc1
InChIInChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-14(9-10-15(18)19)12-21-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyMEGWFJIFPWNDTH-AWEZNQCLSA-N
MW305.37 g/mol
LogP3.13
Rot. Bonds4

About tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate

tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 11289720) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
PubChem CID11289720
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nametert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1COCc1ccccc1
InChIInChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-14(9-10-15(18)19)12-21-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyMEGWFJIFPWNDTH-AWEZNQCLSA-N
XLogP3.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate (CID 11289720) is tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@H]1COCc1ccccc1.
What is the InChIKey of tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is MEGWFJIFPWNDTH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-14(9-10-15(18)19)12-21-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-2-oxo-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11289720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).