2-Azetidinecarboxylic acid, (S)-
PubChem CID: 16486
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| Compound Synonyms | 2133-34-8, L-Azetidine-2-carboxylic acid, (S)-Azetidine-2-carboxylic acid, (2S)-azetidine-2-carboxylic acid, (S)-(-)-2-Azetidinecarboxylic acid, (S)-2-Azetidinecarboxylic acid, Azetidyl-2-carboxylic acid, 2-Azetidinecarboxylic acid, (S)-, 2-Azetidinecarboxylic acid, (2S)-, (S)-(-)-Azetidine-2-carboxylic acid, L-Azetidine 2-carboxylic acid, Azetidine-2-carboxylic acid, L-, CHEBI:6198, (L)-AZETIDINE-2-CARBOXYLIC ACID, Azetidinecarboxylic acid, 2-Azetidinecarboxylic acid, L-, (S)-L-Azetidine-2-carboxylic acid, MFCD00005166, (S)-(-)-2-azetidine carboxylic acid, 5GZ3E0L9ZU, L-2-Azetidinecarboxylic acid, Acide L-azetidine-2-carboxylic, CHEMBL1165239, L-azetidine-2-carboxylate, C4H7NO2, azetidine-2-carboxylate, (S)-Azetidine-2-carboxylicacid, (2s)-2-azetidinecarboxylic acid, HSDB 3465, (2S)azetidine-2-carboxylic acid, AzeOH, (2S)-(-)-Azetidine-2-carboxylic acid, 02A, (S)-2-Azetidinecarboxylic acid, H-Aze-OH, EINECS 218-362-5, L-AzeOH, L-Trimethyleneimine-2-carboxylic Acid, (S)-(-) Azetidine-2-carboxylic acid, Acide L-azetidine-2-carboxylic [French], ST059592, H-Aze(2)-OH, UNII-5GZ3E0L9ZU, L-azetidine-2caboxylic acid, (S)-Azetidin-2-carbonsaure, L-azetidine-2carboxylic acid, Lopac0_000023, SCHEMBL20296, (S)-2-azetidinecarboxyic acid, GTPL4686, 2-(S)-azetidinecarboxylic acid, azetidine-2(S)-carboxylic acid, L--Azetidine-2-carboxylic acid, DTXSID0044020, (S)-2-azetidine carboxylic acid, azetidine-2-(S)-carboxylic acid, HMS3260E07, Tox21_500023, (-)-AZETIDINECARBOXYLIC ACID, BDBM50357225, AKOS005254687, AKOS006239010, (S)-(-)-2-azetidine-carboxylic acid, AC-5699, CCG-204119, FA14215, HY-W050044, LP00023, SDCCGSBI-0050012.P002, L-Azetidine-2-carboxylic acid, >=99%, NCGC00093546-01, NCGC00093546-02, NCGC00093546-03, NCGC00093546-04, NCGC00260708-01, DS-16309, AZETIDYL-2-CARBOXYLIC ACID [HSDB], A1043, CS-0031389, EU-0100023, NS00048671, EN300-85821, A 0760, C08267, AN-584/43509810, Q793715, SR-01000075656, SR-01000075656-1, L-Azetidine-2-carboxylic acid is known as a proline analog., 218-362-5 |
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| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC=O)[C@@H]CCN4 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CNC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-azetidine-2-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H7NO2 |
| Scaffold Graph Node Bond Level | C1CNC1 |
| Inchi Key | IADUEWIQBXOCDZ-VKHMYHEASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | acetidine-2-carbonic-acid, azetidine-2-carboxylic acid, l-azetidine-2-carboxylic-acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CNC |
| Compound Name | 2-Azetidinecarboxylic acid, (S)- |
| Exact Mass | 101.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 101.048 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 101.1 |
| 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/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1 |
| Smiles | C1CN[C@@H]1C(=O)O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16516254 - 2. Outgoing r'ship
FOUND_INto/from Convallaria Majalis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 3. Outgoing r'ship
FOUND_INto/from Polygonatum Multiflorum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279