tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate

C10H17N3O2 — CID 86330831

IUPACtert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](N)(C#N)C1
InChIInChI=1S/C10H17N3O2/c1-9(2,3)15-8(14)13-5-4-10(12,6-11)7-13/h4-5,7,12H2,1-3H3/t10-/m0/s1
InChIKeyNFLVTBMZGLRSPT-JTQLQIEISA-N
MW211.26 g/mol
LogP0.85
Rot. Bonds

About tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate

tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate (PubChem CID 86330831) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate
PubChem CID86330831
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](N)(C#N)C1
InChIInChI=1S/C10H17N3O2/c1-9(2,3)15-8(14)13-5-4-10(12,6-11)7-13/h4-5,7,12H2,1-3H3/t10-/m0/s1
InChIKeyNFLVTBMZGLRSPT-JTQLQIEISA-N
XLogP0.85
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate
CID 137433030
tert-butyl 3-cyano-3-formylpyrrolidine-1-carboxylate
CID 130067975
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621
tert-butyl (3S)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate
CID 124637594
tert-butyl (3R)-3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate
CID 124637593
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate
CID 98060953
tert-butyl (3S)-3-cyano-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 125129469
tert-butyl 4-amino-4-cyano-3-methylpiperidine-1-carboxylate
CID 130590170
tert-butyl 3-amino-3-ethynylazetidine-1-carboxylate
CID 165463669
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate (CID 86330831) is tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@](N)(C#N)C1.
What is the InChIKey of tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate?
The InChIKey is NFLVTBMZGLRSPT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N3O2/c1-9(2,3)15-8(14)13-5-4-10(12,6-11)7-13/h4-5,7,12H2,1-3H3/t10-/m0/s1.
What are the key properties of tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate?
tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate is sourced from PubChem (CID 86330831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).