tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate

C11H22N2O3 — CID 139022576

IUPACtert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC(O)(CN)C1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-6-8-4-11(15,5-8)7-12/h8,15H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyZHTNQTRVKPVQOR-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.61
Rot. Bonds3

About tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate

tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate (PubChem CID 139022576) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate
PubChem CID139022576
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC(O)(CN)C1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-6-8-4-11(15,5-8)7-12/h8,15H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyZHTNQTRVKPVQOR-UHFFFAOYSA-N
XLogP0.61
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methyl]carbamate
CID 167737736
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
CID 22408679
tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
CID 82379242
tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
CID 84801666
tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate
CID 167930532
1-amino-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 115050658
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate
CID 121207022
tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 105468024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate (CID 139022576) is tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CC(O)(CN)C1.
What is the InChIKey of tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate?
The InChIKey is ZHTNQTRVKPVQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-6-8-4-11(15,5-8)7-12/h8,15H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate?
tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate is sourced from PubChem (CID 139022576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).