(2S)-2-(2-aminoacetamido)propanoic acid

• ChemBase ID: 102479
• Molecular Formular: C5H10N2O3
• Molecular Mass: 146.1445
• Monoisotopic Mass: 146.06914219
• SMILES: C[C@H](NC(=O)CN)C(=O)O
• Canonical SMILES: C[C@@H](C(=O)O)NC(=O)CN
• InChI: InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
• InChIKey: VPZXBVLAVMBEQI-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(2-aminoacetamido)propanoic acid
• IUPAC Traditional name: gly-ala
• Synonyms: Gly-Ala; GLYCYL-L-ALANINE; Glycyl-L-alanine; Gly-Ala; GLYCYL L-ALANINE; 甘氨酰-L-丙氨酸

Database IDs

• CAS Number: 3695-73-6
• EC Number: 223-019-8
• MDL Number: MFCD00065112
• Beilstein Number: 1724445
• PubChem SID: 24873339; 162088666
• PubChem CID: 1551643

CALCULATED PROPERTIES

• Acid pKa: 3.6136515
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.9498086
• LogD (pH = 7.4): -4.012713
• Log P: -3.9486609
• Molar Refractivity: 33.3008 cm^3
• Polarizability: 13.317601 Å^3
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~230 °C (dec.)
• Optical Rotation: [α]20/D -50±2°, c = 8% in H2O

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (NT)
• Ignition Residue: ≤0.05% (as SO4)
• Linear Formula: NH2CH2CONHCH(CH3)COOH
• Classification: Derivatives & analogs of Natural Compounds

DETAILS

MP Biomedicals - 02101844

Crystalline

MP Biomedicals - 05206650

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 50150

Packaging
1 g in glass bottle