tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate

C16H28N2O3 — CID 171767514

IUPACtert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC12CCC(C(=O)CN)(CC1)CC2
InChIInChI=1S/C16H28N2O3/c1-14(2,3)21-13(20)18-11-15-4-7-16(8-5-15,9-6-15)12(19)10-17/h4-11,17H2,1-3H3,(H,18,20)
InChIKeyBFCLQZKDANIJHO-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.38
Rot. Bonds4

About tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate

tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate (PubChem CID 171767514) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
PubChem CID171767514
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC12CCC(C(=O)CN)(CC1)CC2
InChIInChI=1S/C16H28N2O3/c1-14(2,3)21-13(20)18-11-15-4-7-16(8-5-15,9-6-15)12(19)10-17/h4-11,17H2,1-3H3,(H,18,20)
InChIKeyBFCLQZKDANIJHO-UHFFFAOYSA-N
XLogP2.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate;4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 159887949
tert-butyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate;tert-butyl N-[(4-cyano-1-bicyclo[2.2.2]octanyl)methyl]carbamate
CID 159386808
4-(aminomethyl)bicyclo[2.2.2]octan-1-ol;tert-butyl N-[(4-fluoro-1-bicyclo[2.2.2]octanyl)methyl]carbamate;tert-butyl N-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)methyl]carbamate
CID 157292217
tert-butyl N-[[5-(aminomethyl)-1-bicyclo[3.1.1]heptanyl]methyl]carbamate
CID 125461960
tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
CID 119032070
1-(2-aminoacetyl)cyclopropane-1-carboxamide;tert-butyl N-[2-(1-carbamoylcyclopropyl)-2-oxoethyl]carbamate;1-carbamoylcyclopropane-1-carboxylic acid;hydrochloride
CID 160747814
tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate
CID 165470929
tert-butyl N-[(5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)methyl]carbamate
CID 155895291
tert-butyl N-[(1-formyl-4-methylcyclohexyl)methyl]carbamate;sulfur dioxide
CID 161105071
tert-butyl N-(4-amino-3-oxobutyl)carbamate
CID 96619413
tert-butyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 155247565
tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
CID 171397407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate (CID 171767514) is tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate is CC(C)(C)OC(=O)NCC12CCC(C(=O)CN)(CC1)CC2.
What is the InChIKey of tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate?
The InChIKey is BFCLQZKDANIJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-14(2,3)21-13(20)18-11-15-4-7-16(8-5-15,9-6-15)12(19)10-17/h4-11,17H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate?
tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate has a molecular weight of 296.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-aminoacetyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate is sourced from PubChem (CID 171767514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).