2-[(2S)-pyrrolidin-2-ylformamido]acetic acid

• ChemBase ID: 155240
• Molecular Formular: C7H12N2O3
• Molecular Mass: 172.18178
• Monoisotopic Mass: 172.08479225
• SMILES: C1C[C@H](NC1)C(=O)NCC(=O)O
• Canonical SMILES: OC(=O)CNC(=O)[C@@H]1CCCN1
• InChI: InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1
• InChIKey: RNKSNIBMTUYWSH-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2S)-pyrrolidin-2-ylformamido]acetic acid
• IUPAC Traditional name: Pro-Gly
• Synonyms: Pro-Gly

Database IDs

• CAS Number: 2578-57-6
• MDL Number: MFCD00022391
• PubChem SID: 24898135; 162249378
• PubChem CID: 6426709

CALCULATED PROPERTIES

• Acid pKa: 3.664926
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.679068
• LogD (pH = 7.4): -3.6754375
• Log P: -3.6746054
• Molar Refractivity: 40.8678 cm^3
• Polarizability: 16.247286 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Empirical Formula (Hill Notation): C7H12N2O3

DETAILS

Sigma Aldrich - P0880

Biochem/physiol Actions
PRO-GLY is a dipeptide that has previously been shown to prevent progression of diabetes.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. P0880.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.