tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate

C10H20N2O3 — CID 22408679

IUPACtert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC(ON)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)14-9(13)12-6-7-4-8(5-7)15-11/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyAAFXNONGKXOSKP-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.18
Rot. Bonds3

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

tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate (PubChem CID 22408679) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
PubChem CID22408679
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC(ON)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)14-9(13)12-6-7-4-8(5-7)15-11/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyAAFXNONGKXOSKP-UHFFFAOYSA-N
XLogP1.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate
CID 98124763
tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate
CID 22408667
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
CID 82379242
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
CID 97007606
tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate
CID 139022576
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate (CID 22408679) is tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CC(ON)C1.
What is the InChIKey of tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate?
The InChIKey is AAFXNONGKXOSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)14-9(13)12-6-7-4-8(5-7)15-11/h7-8H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate?
tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate is sourced from PubChem (CID 22408679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).