tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate

C15H24F2N4O4 — CID 68707477

IUPACtert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1CCC[C@H]1C(=O)N1CC(F)(F)C[C@H]1C(N)=O
InChIInChI=1S/C15H24F2N4O4/c1-14(2,3)25-13(24)19-21-6-4-5-9(21)12(23)20-8-15(16,17)7-10(20)11(18)22/h9-10H,4-8H2,1-3H3,(H2,18,22)(H,19,24)/t9-,10-/m0/s1
InChIKeyCCCZHTHYDGKUCT-UWVGGRQHSA-N
MW362.38 g/mol
LogP0.61
Rot. Bonds3

About tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate

tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate (PubChem CID 68707477) has the molecular formula C15H24F2N4O4 and a molecular weight of 362.38 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate
PubChem CID68707477
Molecular FormulaC15H24F2N4O4
Molecular Weight362.38 g/mol
Exact Mass362.18
IUPAC Nametert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1CCC[C@H]1C(=O)N1CC(F)(F)C[C@H]1C(N)=O
InChIInChI=1S/C15H24F2N4O4/c1-14(2,3)25-13(24)19-21-6-4-5-9(21)12(23)20-8-15(16,17)7-10(20)11(18)22/h9-10H,4-8H2,1-3H3,(H2,18,22)(H,19,24)/t9-,10-/m0/s1
InChIKeyCCCZHTHYDGKUCT-UWVGGRQHSA-N
XLogP0.61
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate with MolForge

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Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
CID 51031273
(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
CID 51031410
tert-butyl N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 7031930
tert-butyl N-[(2S)-2-[[(2S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]carbamate
CID 102589398
1-O-tert-butyl 2-O-ethyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 91825949
tert-butyl (2S,3S)-2-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-3-methylpyrrolidine-1-carboxylate
CID 101037596
tert-butyl N-[4-[(2S)-2-carbamoylpyrrolidin-1-yl]butyl]carbamate
CID 54459116
tert-butyl 2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 122411574
cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate
CID 71734160
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
tert-butyl 2-tert-butyl-4,4-difluoropyrrolidine-1-carboxylate
CID 58395160
tert-butyl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate;formic acid
CID 145420609

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate (CID 68707477) is tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate is CC(C)(C)OC(=O)NN1CCC[C@H]1C(=O)N1CC(F)(F)C[C@H]1C(N)=O.
What is the InChIKey of tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate?
The InChIKey is CCCZHTHYDGKUCT-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H24F2N4O4/c1-14(2,3)25-13(24)19-21-6-4-5-9(21)12(23)20-8-15(16,17)7-10(20)11(18)22/h9-10H,4-8H2,1-3H3,(H2,18,22)(H,19,24)/t9-,10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate?
tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate has a molecular weight of 362.38 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate is sourced from PubChem (CID 68707477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).