tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate

C11H22N2O2 — CID 91507991

IUPACtert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CN
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(9)7-12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyHGRDDBPZHZEGNY-IUCAKERBSA-N
MW214.31 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate

tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate (PubChem CID 91507991) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate
PubChem CID91507991
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CN
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(9)7-12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyHGRDDBPZHZEGNY-IUCAKERBSA-N
XLogP1.64
TPSA64.35 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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl n-((1r,3r)-3-aminocyclopentyl)carbamate
CID 51776938
tert-butyl N-{3-azabicyclo[3.2.1]octan-8-yl}carbamate
CID 53338922
Trans-4-(Boc-amino)-cyclohexanemethanamine hydrochloride
CID 2756044
tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate
CID 2756045
tert-butyl N-((1R,3S)-3-(aminomethyl)cyclopentyl)carbamate
CID 11962832
tert-butyl N-[1-(pyrrolidin-3-yl)ethyl]carbamate
CID 14099015
rel-((1R,3R)-3-(Aminomethyl)cyclopentyl)carbamic acid 1,1-dimethylethyl ester
CID 21110012
1,1-Dimethylethyl N-((4-aminocyclohexyl)methyl)carbamate
CID 21882540
tert-butyl N-[3-(aminomethyl)cyclohexyl]carbamate
CID 22713997
tert-butyl N-((3-aminocyclopentyl)methyl)carbamate
CID 22714061
tert-butyl N-(5-aminohexyl)carbamate
CID 23599737
tert-Butyl N-((1S,3S)-3-aminocyclopentyl)carbamate
CID 45091937

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate (CID 91507991) is tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CN.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate?
The InChIKey is HGRDDBPZHZEGNY-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(9)7-12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate?
tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-(aminomethyl)cyclopentyl]carbamate is sourced from PubChem (CID 91507991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).