tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate

C20H25FN2O4 — CID 154598023

IUPACtert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C(C)(F)[C@H](NC(=O)C2CC2)[C@H]1c1ccccc1
InChIInChI=1S/C20H25FN2O4/c1-19(2,3)27-18(26)23-14(12-8-6-5-7-9-12)15(20(4,21)17(23)25)22-16(24)13-10-11-13/h5-9,13-15H,10-11H2,1-4H3,(H,22,24)/t14-,15-,20?/m1/s1
InChIKeyGUDJCHUTDXKBSS-YNCRUDOASA-N
MW376.43 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate

tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate (PubChem CID 154598023) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
PubChem CID154598023
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Nametert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C(C)(F)[C@H](NC(=O)C2CC2)[C@H]1c1ccccc1
InChIInChI=1S/C20H25FN2O4/c1-19(2,3)27-18(26)23-14(12-8-6-5-7-9-12)15(20(4,21)17(23)25)22-16(24)13-10-11-13/h5-9,13-15H,10-11H2,1-4H3,(H,22,24)/t14-,15-,20?/m1/s1
InChIKeyGUDJCHUTDXKBSS-YNCRUDOASA-N
XLogP3.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate with MolForge

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Related Compounds

(4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid
CID 154983209
tert-butyl (3S,5R)-4-(cyclopropanecarbonylamino)-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
CID 167017836
tert-butyl (3S,4S)-4-(cyclopropanecarbonylamino)-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
CID 154642067
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
tert-butyl (2S,3R)-3-hydroxy-2-phenylpiperidine-1-carboxylate;tert-butyl (2R,3S)-3-hydroxy-2-phenylpiperidine-1-carboxylate
CID 167995330
tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 101218621
N-[1-(3,3-dimethylbutyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162933425
3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide
CID 162790473
tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate
CID 141389257

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate (CID 154598023) is tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C(C)(F)[C@H](NC(=O)C2CC2)[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate?
The InChIKey is GUDJCHUTDXKBSS-YNCRUDOASA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-19(2,3)27-18(26)23-14(12-8-6-5-7-9-12)15(20(4,21)17(23)25)22-16(24)13-10-11-13/h5-9,13-15H,10-11H2,1-4H3,(H,22,24)/t14-,15-,20?/m1/s1.
What are the key properties of tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate?
tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 154598023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).