2-(2-amino-N-methylacetamido)acetic acid

• ChemBase ID: 102907
• Molecular Formular: C5H10N2O3
• Molecular Mass: 146.1445
• Monoisotopic Mass: 146.06914219
• SMILES: CN(CC(=O)O)C(=O)CN
• Canonical SMILES: CN(C(=O)CN)CC(=O)O
• InChI: InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)
• InChIKey: VYAMLSCELQQRAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-amino-N-methylacetamido)acetic acid
• IUPAC Traditional name: (2-amino-N-methylacetamido)acetic acid
• Synonyms: Glycyl-sarcosine; Gly-Sar; Gly-Sar; GLYCYLSARCOSINE

Database IDs

• CAS Number: 29816-01-1
• EC Number: 249-875-2
• MDL Number: MFCD00038193
• Beilstein Number: 1768450
• PubChem SID: 24895113; 24873363; 162090307
• PubChem CID: 93131

CALCULATED PROPERTIES

• Acid pKa: 3.6557534
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.295102
• LogD (pH = 7.4): -4.3584776
• Log P: -4.2936645
• Molar Refractivity: 33.7036 cm^3
• Polarizability: 13.317601 Å^3
• Polar Surface Area: 83.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198-202 °C (dec.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... SLC15A1(6564)

Product Information

• Purity: ≥99.0% (T)
• Grade: puriss.
• Linear Formula: NH2CH2CON(CH3)CH2COOH

DETAILS

MP Biomedicals - 05210587

MP Biomedicals Rare Chemical collection

Sigma Aldrich - G3127

Amino Acid Sequence
Gly-Sar

Sigma Aldrich - 50430

Amino Acid Sequence
Gly-Sar