tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate

C13H22N2O3 — CID 169150003

IUPACtert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(=O)NCC12CC(NC(=O)OC(C)(C)C)(C1)C2
InChIInChI=1S/C13H22N2O3/c1-9(16)14-8-12-5-13(6-12,7-12)15-10(17)18-11(2,3)4/h5-8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyQDAMAPDHCQZFQN-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.57
Rot. Bonds3

About tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate

tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate (PubChem CID 169150003) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
PubChem CID169150003
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(=O)NCC12CC(NC(=O)OC(C)(C)C)(C1)C2
InChIInChI=1S/C13H22N2O3/c1-9(16)14-8-12-5-13(6-12,7-12)15-10(17)18-11(2,3)4/h5-8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyQDAMAPDHCQZFQN-UHFFFAOYSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-(2-amino-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 146204169
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl]ethanesulfonic acid
CID 149160052
tert-butyl N-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate
CID 155957698
tert-butyl N-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 138106118
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate
CID 168724937
tert-butyl N-[3-(aminomethylsulfonyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 156832537
tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 170112937
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] methanesulfonate
CID 175968512
tert-butyl N-(acetamidomethyl)carbamate
CID 5325897
tert-butyl N-[3-(N-tert-butylsulfanyl-C-methylcarbonimidoyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 174004137
tert-butyl N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)oxymethyl]-1-bicyclo[2.2.1]heptanyl]carbamate
CID 163818123
N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide
CID 59141396

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate?
The IUPAC name of tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate (CID 169150003) is tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate is CC(=O)NCC12CC(NC(=O)OC(C)(C)C)(C1)C2.
What is the InChIKey of tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate?
The InChIKey is QDAMAPDHCQZFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(16)14-8-12-5-13(6-12,7-12)15-10(17)18-11(2,3)4/h5-8H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate?
tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate has a molecular weight of 254.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate is sourced from PubChem (CID 169150003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).