tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate

C13H24N2O2 — CID 117273576

IUPACtert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C2CCC(C2)[C@@H]1CN
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-9-5-4-8(6-9)10(11)7-14/h8-11H,4-7,14H2,1-3H3,(H,15,16)/t8?,9?,10-,11-/m0/s1
InChIKeyDCYIFXUGDBSIGL-TVUZUIDESA-N
MW240.35 g/mol
LogP1.88
Rot. Bonds2

About tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate

tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate (PubChem CID 117273576) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate
PubChem CID117273576
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C2CCC(C2)[C@@H]1CN
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-9-5-4-8(6-9)10(11)7-14/h8-11H,4-7,14H2,1-3H3,(H,15,16)/t8?,9?,10-,11-/m0/s1
InChIKeyDCYIFXUGDBSIGL-TVUZUIDESA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S,2S,3S,4R)-3-(2-oxoethyl)-2-bicyclo[2.2.1]heptanyl]carbamate
CID 90942911
tert-butyl N-[(1S,2R,4R)-3-formyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 178199914
tert-butyl N-[(2S,3S)-3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate
CID 117274987
tert-butyl N-[(1S,2S,4S,7S)-2-(hydroxymethyl)-7-bicyclo[2.2.1]heptanyl]carbamate
CID 129451895
methyl 2-[4-[(1R,2S,3S,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-bicyclo[2.2.1]heptanyl]butylsulfanyl]acetate
CID 90867592
tert-butyl N-[(1S,5S,6S,7R)-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-yl]carbamate;hydrochloride
CID 154877086
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
tert-butyl N-[(1R,3S)-5-(aminomethyl)-2-adamantyl]carbamate
CID 58324763
tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
CID 71685847
tert-butyl N-(3-azabicyclo[3.1.1]heptan-6-yl)carbamate;oxalic acid
CID 75525774
tert-butyl N-[(1S,4R,7S)-2-oxo-7-bicyclo[2.2.1]heptanyl]carbamate
CID 99995947

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate (CID 117273576) is tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate is CC(C)(C)OC(=O)N[C@H]1C2CCC(C2)[C@@H]1CN.
What is the InChIKey of tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate?
The InChIKey is DCYIFXUGDBSIGL-TVUZUIDESA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-9-5-4-8(6-9)10(11)7-14/h8-11H,4-7,14H2,1-3H3,(H,15,16)/t8?,9?,10-,11-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate?
tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]carbamate is sourced from PubChem (CID 117273576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).