Fmoc-N-Me-Aib-OH

HCID 4147680

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Basic information

CAS: 400779-65-9
Standard SMILES: CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O
InChIKey: HFPNKXXPYGPHJQ-UHFFFAOYSA-N
Molecular formula: C20H21NO4
Average molar mass: 339.4 g/mol
Monoisotopic mass: 339.14705815

Names & identifiers

Preferred name: Fmoc-N-Me-Aib-OH
IUPAC: 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-2-methylpropanoic acid
English name: Fmoc-N-Me-Aib-OH
Molecular formula: C20H21NO4
Molecular weight: 339.39

Names & synonyms

Fmoc-N-Me-Aib-OH400779-65-9N-Fmoc-alpha-(methylamino)isobutyric acidMFCD03095509N-Fmoc-N,2-dimethyl-DL-alanine2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-2-methylpropanoic acid2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-2-methylpropanoic acidDTXSID70399913Z11237201172-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-2-methylpropanoic acidSCHEMBL118230SCHEMBL29709499

Show more names

Fmoc-N,2-dimethylalanineFmoc-N-Methyl-Aminoisobutyric acidn-fmoc-α-(methylamino)isobutyric acid2-[Fmoc(methyl)amino]-2-methylpropanoic Acid(9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-Aib-OHN-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N,2-dimethylalanineN-Fmoc-α-(methylamino)isobutyric acid, Fmoc-N,2-dimethylalanine

SCHEMBL29908653HFPNKXXPYGPHJQ-UHFFFAOYSA-NAlanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N,2-dimethyl-ARA77965Fmoc-N-Me-Aib-OH, >=96.0%AKOS0126143812-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL](METHYL)AMINO}-2-METHYLPROPANOIC ACIDAS-18967

Database identifiers

CAS: 400779-65-9
PubChem CID: 4147680
DTXSID: DTXSID70399913

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 496

Physicochemical properties

Boiling point: 518.1 · 518.1±29.0 °C(Predicted)
Density: 1.239 · 1.239±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.05 · 4.05±0.10(Predicted)
form: solid
Appearance: White to off-white Solid
Major Application: peptide synthesis
InChI: 1S/C20H21NO4/c1-20(2,18(22)23)21(3)19(24)25-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17H,12H2,1-3H3,(H,22,23)
InChIKey: HFPNKXXPYGPHJQ-UHFFFAOYSA-N
SMILES: CN(C(=O)OCC1c2ccccc2-c3ccccc13)C(C)(C)C(O)=O
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids