O-benzyl-L-serine
PubChem CID: 78457
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | O-benzyl-L-serine, 4726-96-9, H-Ser(Bzl)-OH, benzylserine, (S)-2-Amino-3-(benzyloxy)propanoic acid, L-Serine, O-(phenylmethyl)-, (2S)-2-amino-3-phenylmethoxypropanoic acid, (2S)-2-amino-3-(benzyloxy)propanoic acid, MFCD00065937, EINECS 225-220-6, Benzyl ester of L-Serine, (2S)-2-ammonio-3-phenylmethoxypropanoate, DTXSID20884107, Serine, O-(phenylmethyl)-, (2S)-2-amino-3-benzoxy-propionic acid, o-Benzylserine, o-(Phenylmethyl)-L-Serine, (2S)-2-amino-3-(phenylmethoxy)propanoic acid, o-Benzylserine #, Serine(BZL)-OH, (S)-2-Amino-3-benzyloxypropionic acid, O-benzyl-(L)-serine, O-benzyl-(S)-serine, o-phenylmethyl-l-serine, (2S)-2-Amino-3-benzyloxypropanoic acid, SCHEMBL185608, Racemic O-(phenylmethyl)serine, GTPL4500, CHEBI:193485, DTXCID501023577, AKOS015924169, CS-W008308, HY-W008308, (S)-2-Amino-3-benzyloxy-propionic acid, O-Benzyl-L-serine, >=99.0% (NT), AS-17991, B0861, NS00081210, (2S)-2-azanyl-3-phenylmethoxy-propanoic acid, EN300-127719, M06132, Q27075100, 225-220-6, 30916-68-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 72.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | N[C@H]C=O)O))COCcccccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-3-phenylmethoxypropanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H13NO3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | IDGQXGPQOGUGIX-VIFPVBQESA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | o-benzyl-l-serine |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, CN, COC |
| Compound Name | O-benzyl-L-serine |
| Exact Mass | 195.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 195.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 195.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 |
| Smiles | C1=CC=C(C=C1)COC[C@@H](C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Reference:ISBN:9770972795006