tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate

C10H20N2O3 — CID 129395964

IUPACtert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1ON
InChIInChI=1S/C10H20N2O3/c1-10(2,3)14-9(13)12-7-5-4-6-8(7)15-11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyPBKJVKIOXZUQTI-SFYZADRCSA-N
MW216.28 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate

tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate (PubChem CID 129395964) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate
PubChem CID129395964
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1ON
InChIInChI=1S/C10H20N2O3/c1-10(2,3)14-9(13)12-7-5-4-6-8(7)15-11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyPBKJVKIOXZUQTI-SFYZADRCSA-N
XLogP1.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]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-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate
CID 11065075
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
CID 70952812
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(2S)-2-(dimethylamino)cyclopentyl]carbamate
CID 143692343

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate (CID 129395964) is tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1ON.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate?
The InChIKey is PBKJVKIOXZUQTI-SFYZADRCSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)14-9(13)12-7-5-4-6-8(7)15-11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate?
tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate is sourced from PubChem (CID 129395964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).