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tert-Butyl 3-(tert-butoxycarbonylamino)-3-cyanopyrrolidine-1-carboxylate

HCID 71299208
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1364663-43-3
Standard SMILES
CC(C)(C)OC(=O)NC1(C#N)CCN(C(=O)OC(C)(C)C)C1
InChIKey
HMAYGCDQNLVYHL-UHFFFAOYSA-N
Molecular formula
C15H25N3O4
Average molar mass
311.38 g/mol
Monoisotopic mass
311.18450629

Names & identifiers

Preferred name
tert-Butyl 3-(tert-butoxycarbonylamino)-3-cyanopyrrolidine-1-carboxylate
IUPAC
tert-butyl 3-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
English name
tert-butyl 3-(tert-butoxycarbonylaMino)-3-cyanopyrrolidine-1-carboxylate
Molecular formula
C15H25N3O4
Molecular weight
311.38

Names & synonyms

1364663-43-3tert-Butyl 3-(tert-butoxycarbonylamino)-3-cyanopyrrolidine-1-carboxylatetert-Butyl 3-((tert-butoxycarbonyl)amino)-3-cyanopyrrolidine-1-carboxylatetert-butyl 3-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylatetert-butyl 3-[(tert-butoxycarbonyl)amino]-3-cyanopyrrolidine-1-carboxylateDTXSID701111968AKOS025403559CS-0120457F95411tert-butyl 3-(tert-butoxycarbonylamino)-3-cyano-pyrrolidine-1-carboxylatetert-Butyl3-(tert-butoxycarbonylamino)-3-cyanopyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-cyano-3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester
Show more names
100280

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
91.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
495

Chemistry & industry

Suppliers4 total

无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
1364663-43-3
PubChem CID
71299208
DTXSID
DTXSID701111968