tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate

C14H23FN2O4 — CID 58006813

IUPACtert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C14H23FN2O4/c1-14(2,3)21-13(19)17-9-10(15)8-11(17)12(18)16-4-6-20-7-5-16/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyVVYKQGUNVTWEIG-QWRGUYRKSA-N
MW302.35 g/mol
LogP1.19
Rot. Bonds1

About tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate

tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 58006813) has the molecular formula C14H23FN2O4 and a molecular weight of 302.35 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
PubChem CID58006813
Molecular FormulaC14H23FN2O4
Molecular Weight302.35 g/mol
Exact Mass302.16
IUPAC Nametert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C14H23FN2O4/c1-14(2,3)21-13(19)17-9-10(15)8-11(17)12(18)16-4-6-20-7-5-16/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyVVYKQGUNVTWEIG-QWRGUYRKSA-N
XLogP1.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate (CID 58006813) is tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is VVYKQGUNVTWEIG-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H23FN2O4/c1-14(2,3)21-13(19)17-9-10(15)8-11(17)12(18)16-4-6-20-7-5-16/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 302.35 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 58006813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).