tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate

C12H24N2O2 — CID 71112214

IUPACtert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CN)CCC1(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9(8-13)6-7-12(14,4)5/h9H,6-8,13H2,1-5H3
InChIKeyWEVUWHRKMLMMGE-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.12
Rot. Bonds1

About tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate

tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate (PubChem CID 71112214) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
PubChem CID71112214
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CN)CCC1(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9(8-13)6-7-12(14,4)5/h9H,6-8,13H2,1-5H3
InChIKeyWEVUWHRKMLMMGE-UHFFFAOYSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-(hydroxymethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 70949192
tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate
CID 155820435
tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate
CID 124603858
tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate
CID 66630657
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl 5-[4-[(6-aminosulfanyl-2-pyridinyl)amino]butyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 139428361
tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate
CID 163406222
(2S)-5-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 118856356
tert-butyl 2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 122411574
tert-butyl (5R)-5-[2-(dibenzylamino)-3-hydroxy-3-phenylpropyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 69335308
tert-butyl 5-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 154927655

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate (CID 71112214) is tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(CN)CCC1(C)C.
What is the InChIKey of tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate?
The InChIKey is WEVUWHRKMLMMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9(8-13)6-7-12(14,4)5/h9H,6-8,13H2,1-5H3.
What are the key properties of tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate?
tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 71112214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).