| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 14 | Yes |
Popular Name: N-(2-Carboxyphenyl)glycine N-(2-Carboxyphenyl)glycine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 612-42-0 , n / a , [612-42-0]
2-((Carboxymethyl)amino)benzoic acid
2-(Carboxymethyl-amino)-benzoic acid
2-(Carboxymethylamino)benzoic acid
2-[(carboxymethyl)amino]benzoic acid
benzoic acid, 2-[(carboxymethyl)amino]-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.17 | 4.95 | -115.22 | 1 | 5 | -2 | 92 | 193.158 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.17 | 2.95 | -50.21 | 2 | 5 | -1 | 89 | 194.166 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 212° | Matrix Scientific |
| Mp [°C] | 218 | Acros Organics |
| Purity | 97% | Fluorochem |
| Boiling_Point | ca 218? dec. | Alfa-Aesar |
| Boiling_Point | ca 218° dec. | Alfa-Aesar |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-5-O | Glutamate NMDA Receptor (cluster #5 Of 7), Other | Other | 4000 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 4000 | 0.54 | Binding ≤ 10μM |
