tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate

C10H20N2O2 — CID 2756484

IUPACtert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CN
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3
InChIKeySOGXYCNKQQJEED-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.34
Rot. Bonds1

About tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate

tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate (PubChem CID 2756484) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
PubChem CID2756484
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CN
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3
InChIKeySOGXYCNKQQJEED-UHFFFAOYSA-N
XLogP1.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 129403343
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66563910
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl (2R)-2-[[3-(aminomethyl)piperidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 66940498
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl (2R)-2-(3-aminopropyl)piperidine-1-carboxylate
CID 34178148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate (CID 2756484) is tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1CN.
What is the InChIKey of tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate?
The InChIKey is SOGXYCNKQQJEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 2756484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).