(2R)-2-cyclopropyl-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid

• ChemBase ID: 83980
• Molecular Formular: C20H19NO4
• Molecular Mass: 337.36916
• Monoisotopic Mass: 337.13140809
• SMILES: OC(=O)[C@@H](C1CC1)NC(=O)OCC1c2c(cccc2)c2c1cccc2
• Canonical SMILES: O=C(N[C@H](C1CC1)C(=O)O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C20H19NO4/c22-19(23)18(12-9-10-12)21-20(24)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,21,24)(H,22,23)/t18-/m1/s1
• InChIKey: YMLZBPTXRMNAFP-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-cyclopropyl-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid
• IUPAC Traditional name: (R)-cyclopropyl({[(9H-fluoren-9-ylmethoxy)carbonyl]amino})acetic acid
• Synonyms: (S)-Amino(cyclopropyl)acetic acid, N-FMOC protected; L-Cyclopropylglycine, N-FMOC protected

Database IDs

• MDL Number: MFCD06659145
• PubChem SID: 162071096
• PubChem CID: 7146280

CALCULATED PROPERTIES

• Acid pKa: 3.7538579
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7223157
• LogD (pH = 7.4): 0.18611977
• Log P: 3.4690864
• Molar Refractivity: 91.7705 cm^3
• Polarizability: 36.9484 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant