tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate

C11H19N3O5 — CID 56632300

IUPACtert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](OC(N)=O)C[C@H]1C(N)=O
InChIInChI=1S/C11H19N3O5/c1-11(2,3)19-10(17)14-5-6(18-9(13)16)4-7(14)8(12)15/h6-7H,4-5H2,1-3H3,(H2,12,15)(H2,13,16)/t6-,7+/m1/s1
InChIKeyWMXKRKWAMULPKB-RQJHMYQMSA-N
MW273.29 g/mol
LogP-0.05
Rot. Bonds2

About tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate

tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate (PubChem CID 56632300) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate
PubChem CID56632300
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Nametert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](OC(N)=O)C[C@H]1C(N)=O
InChIInChI=1S/C11H19N3O5/c1-11(2,3)19-10(17)14-5-6(18-9(13)16)4-7(14)8(12)15/h6-7H,4-5H2,1-3H3,(H2,12,15)(H2,13,16)/t6-,7+/m1/s1
InChIKeyWMXKRKWAMULPKB-RQJHMYQMSA-N
XLogP-0.05
TPSA124.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
tert-butyl (2S,4S)-4-amino-2-carbamoylpyrrolidine-1-carboxylate
CID 21308807
tert-butyl (2S,4S)-2-carbamoyl-4-(4-nitrobenzoyl)oxypyrrolidine-1-carboxylate
CID 70672019
1-O-tert-butyl 2-O-methyl (2S,4R)-4-acetyloxypyrrolidine-1,2-dicarboxylate
CID 15222303
1-O-tert-butyl 2-O-methyl (2S,4S)-4-acetyloxypyrrolidine-1,2-dicarboxylate
CID 15222304
ethane;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171535084
1-O-tert-butyl 2-O-methyl (4S)-4-methoxypyrrolidine-1,2-dicarboxylate
CID 112547208
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonyloxypyrrolidine-2-carboxylic acid
CID 54148811
(2R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonyloxypyrrolidine-2-carboxylic acid
CID 95381249
tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate
CID 155245632
(2S,4R)-4-benzoyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 14213923
(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethoxy)pyrrolidine-2-carboxylic acid
CID 146049042

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate (CID 56632300) is tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](OC(N)=O)C[C@H]1C(N)=O.
What is the InChIKey of tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate?
The InChIKey is WMXKRKWAMULPKB-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-11(2,3)19-10(17)14-5-6(18-9(13)16)4-7(14)8(12)15/h6-7H,4-5H2,1-3H3,(H2,12,15)(H2,13,16)/t6-,7+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate has a molecular weight of 273.29 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 56632300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).