(2R)-2-aminobutanoic acid

• ChemBase ID: 4034
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: CC[C@@H](N)C(=O)O
• Canonical SMILES: CC[C@H](C(=O)O)N
• InChI: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
• InChIKey: QWCKQJZIFLGMSD-GSVOUGTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-aminobutanoic acid
• IUPAC Traditional name: D-2-aminobutyric acid; D-(-)-2-aminobutyric acid
• Synonyms: H-D-Abu-OH; D-(-)-2-Aminobutyric acid; (R)-2-Aminobutanoic acid; (2R)-2-aminobutanoic acid; Alpha-Aminobutyric Acid; D-2-Aminobutyric acid; 2-Aminobutanoic acid; DL-α-AMINO-n-BUTYRIC ACID; (R)-(-)-2-Aminobutyric acid; D-2-Aminobutyric acid; D-(-)-2-氨基丁酸; (R)-(-)-2-氨基丁酸; D-2-氨基丁酸

Database IDs

• CAS Number: 2623-91-8; 2835-81-6
• EC Number: 220-616-5; 220-084-4
• MDL Number: MFCD00063842; MFCD00064414
• Beilstein Number: 1720934
• PubChem SID: 24847264; 24846027; 46505337; 160967469
• PubChem CID: 439691

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.615755
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3183894
• LogD (pH = 7.4): -2.3208885
• Log P: -2.3181498
• Molar Refractivity: 25.0213 cm^3
• Polarizability: 10.177998 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -2.55
• LOG S: 0.54
• Solubility (Water): 3.58e+02 g/l

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C; 291°C (decomposes)
• Optical Rotation: [α]20/D -21 to -19°, c = 4 in H2O; -20.5 (c=4.8 in 6N HCl)
• Hydrophobicity(logP): -2.595

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (NT); 95%; 95+%; 98%; 98+%; 99%
• Grade: purum
• Optical Purity: ee: 99% (GLC)
• Linear Formula: C2H5CH(NH2)CO2H

DETAILS

MP Biomedicals - 05207535

MP Biomedicals Rare Chemical collection

DrugBank - DB04454

Drug information: experimental

Sigma Aldrich - 116122

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 07210

Other Notes
Enantioselective deamino-halogenation and preparation of ethyloxirane1,2; Starting material for 2-hydroxybutyric acid and 1,2-butanediol3