[(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate

C11H22N2O2 — CID 151344081

IUPAC[(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate
SMILESCC(C)(C)[C@]1(OC(N)=O)CCC[C@H]1CN
InChIInChI=1S/C11H22N2O2/c1-10(2,3)11(15-9(13)14)6-4-5-8(11)7-12/h8H,4-7,12H2,1-3H3,(H2,13,14)/t8-,11-/m0/s1
InChIKeyOLBVVZKZOAXEGM-KWQFWETISA-N
MW214.31 g/mol
LogP1.63
Rot. Bonds2

About [(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate

[(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate (PubChem CID 151344081) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate.

Molecular Properties

Compound Name[(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate
PubChem CID151344081
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate
SMILESCC(C)(C)[C@]1(OC(N)=O)CCC[C@H]1CN
InChIInChI=1S/C11H22N2O2/c1-10(2,3)11(15-9(13)14)6-4-5-8(11)7-12/h8H,4-7,12H2,1-3H3,(H2,13,14)/t8-,11-/m0/s1
InChIKeyOLBVVZKZOAXEGM-KWQFWETISA-N
XLogP1.63
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate?
The IUPAC name of [(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate (CID 151344081) is [(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate.
What is the SMILES notation for [(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate?
The canonical SMILES for [(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate is CC(C)(C)[C@]1(OC(N)=O)CCC[C@H]1CN.
What is the InChIKey of [(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate?
The InChIKey is OLBVVZKZOAXEGM-KWQFWETISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)11(15-9(13)14)6-4-5-8(11)7-12/h8H,4-7,12H2,1-3H3,(H2,13,14)/t8-,11-/m0/s1.
What are the key properties of [(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate?
[(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(aminomethyl)-1-tert-butylcyclopentyl] carbamate is sourced from PubChem (CID 151344081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).