tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate

C11H22N2O2 — CID 96566504

IUPACtert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](C)(CN)C1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-6-5-11(4,7-12)8-13/h5-8,12H2,1-4H3/t11-/m1/s1
InChIKeyQYBNDQGUYWSBCD-LLVKDONJSA-N
MW214.31 g/mol
LogP1.59
Rot. Bonds1

About tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate

tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate (PubChem CID 96566504) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
PubChem CID96566504
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](C)(CN)C1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-6-5-11(4,7-12)8-13/h5-8,12H2,1-4H3/t11-/m1/s1
InChIKeyQYBNDQGUYWSBCD-LLVKDONJSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 3-(cyclopropylmethoxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 90157019
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 3-[(3-aminopropylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254670
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
CID 115047873
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate (CID 96566504) is tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@](C)(CN)C1.
What is the InChIKey of tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate?
The InChIKey is QYBNDQGUYWSBCD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-6-5-11(4,7-12)8-13/h5-8,12H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 96566504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).