1-amino-3-(tert-butoxy)cyclopentane-1-carboxylic acid

• ChemBase ID: 811720
• Molecular Formular: C10H19NO3
• Molecular Mass: 201.26276
• Monoisotopic Mass: 201.13649347
• SMILES: C1(CC(CC1)OC(C)(C)C)(C(=O)O)N
• Canonical SMILES: OC(=O)C1(N)CCC(C1)OC(C)(C)C
• InChI: InChI=1S/C10H19NO3/c1-9(2,3)14-7-4-5-10(11,6-7)8(12)13/h7H,4-6,11H2,1-3H3,(H,12,13)
• InChIKey: DEUJYJANBYBAPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-(tert-butoxy)cyclopentane-1-carboxylic acid
• IUPAC Traditional name: 1-amino-3-(tert-butoxy)cyclopentane-1-carboxylic acid
• Synonyms: 3-TERT-BUTOXY-1-AMINOCYCLOPENTANECARBOXYLIC ACID

CALCULATED PROPERTIES

• Acid pKa: 2.5115633
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5896165
• LogD (pH = 7.4): -1.591074
• Log P: -1.5894138
• Molar Refractivity: 52.6391 cm^3
• Polarizability: 21.174732 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%