Chemical Name - 3-Aminobutanoic Acid
Mol Weight - 103.12
Smiles - CC(CC(O)=O)N
Mol Weight - 103.12
Smiles - CC(CC(O)=O)N
| Property Value | |
| Mol Name | 3-Aminobutanoic Acid |
| Molweight | 103.12 |
| Monoisotopic Mass | 103.063329 |
| Clogp | -2.5367 |
| Clogs | -0.676 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 84.64 |
| Relative Psa | 0.48925 |
| Polar Surface Area | 63.32 |
| Druglikeness | -2.7901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.8104 |
| Molecular Complexity | 0.59725 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 1 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 5 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | CC(CC(O)=O)N |
| InChIKey | InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7) |
| InChI | OQEBBZSWEGYTPG-UHFFFAOYSA-N |
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