tert-butyl N-[(1R,3R)-3-aminocyclopentyl]carbamate

• ChemBase ID: 309142
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C(=O)(N[C@H]1C[C@H](N)CC1)OC(C)(C)C
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8-/m1/s1
• InChIKey: PGBVMVTUWHCOHX-HTQZYQBOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(1R,3R)-3-aminocyclopentyl]carbamate
• IUPAC Traditional name: tert-butyl N-[(1R,3R)-3-aminocyclopentyl]carbamate
• Synonyms: tert-butyl rac-[(1R,3R)-3-aminocyclopentyl]carbamate

Database IDs

• CAS Number: 947732-58-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3638303
• LogD (pH = 7.4): -1.8146638
• Log P: 0.654946
• Molar Refractivity: 54.4884 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 64.35 Å^2