(+-)-2-Azetidinecarboxylic acid
PubChem CID: 17288
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| Compound Synonyms | Azetidine-2-carboxylic acid, 2517-04-6, DL-Azetidine-2-carboxylic acid, 2-AZETIDINECARBOXYLIC ACID, 20063-89-2, D,L-Azetidine-2-carboxylic Acid, DL-2-Azetidinecarboxylic acid, azetidine-2-carboxylicacid, Azetidinecarboxylic acid, MFCD00066660, CHEMBL33592, 775261TI36, CHEBI:38108, (+-)-2-Azetidinecarboxylic acid, UNII-775261TI36, EINECS 219-740-2, 2-AZETIDINECARBOXYLIC ACID [MI], AZETIDINE-2-CARBOXYLICACID (L-), (+/-)-2-AZETIDINECARBOXYLIC ACID, 2-AZETIDINECARBOXYLIC ACID, (RS)-, 2-AZETIDINECARBOXYLIC ACID, (+/-)-, C4H7NO2, H-Aze-OH, D-2-Azetidinecarboxylic acid, (2S)-(-)-Azetidine-2-carboxylic acid, (S)-2-Azetidinecarboxylic acid, H-Aze-OH, DL-AzeOH, D,L-AzeOH, DL-H-AZE-OH, SCHEMBL122166, DTXSID80859699, ALBB-023626, BCP32052, CS-M0178, NSC72471, BDBM50000108, NSC-72471, s5572, ZB0878, AKOS004910733, AC-5888, CCG-266031, GS-4253, PB12060, PB29123, SB21651, SB36185, azetidine-2-carboxylic acid, AldrichCPR, AC-23205, AC-23581, HY-75308, SY004809, SY013679, SY077312, 2-Azetidinecarboxylic acid, (S)- (9CI), DB-008923, DB-067333, EN300-24071, Q27117374, F8887-4126, Z168878270, L-azetidine-2-carboxylic acid, (2S)-azetidine-2-carboxylic acid, 1-Azetidinecarboxylicacid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester, (2S)-, 219-740-2, 606-432-1 |
|---|---|
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 7.0 |
| Description | Present in roots and leaves of Convallaria majalis (lily-of-the-valley). Convallaria majalis is banned by the FDA from food use in the USA. (S)-2-Azetidinecarboxylic acid is found in red beetroot and common beet. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.7 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | azetidine-2-carboxylic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -2.9 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C4H7NO2 |
| Inchi Key | IADUEWIQBXOCDZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | (2S)-(-)-Azetidine-2-carboxylic acid, (2S)-azetidine-2-carboxylic acid, (L)-Azetidine-2-carboxylic acid, (S)-(-)-Azetidine-2-carboxylic acid, (S)-2-Azetidinecarboxylic acid, (S)-Azetidine-2-carboxylic acid, 2-Azetidinecarboxylic acid, (S)-, 2-Azetidinecarboxylic acid, (S)- (9CI), 2-Azetidinecarboxylic acid, L-, AZC, Azetidine-2-carboxylic acid, L-, AZETIDINE-2-CARBOXYLICACID (L-), Azetidinecarboxylic acid, Azetidyl-2-carboxylic acid, L-2-Azetidinecarboxylic acid, L-Azetidine 2-carboxylic acid, L-Azetidine-2-carboxylic acid, (S)-2-Azetidinecarboxylate, Azetidine-2-carboxylic acid, Azetidine-2-carboxylate, (2S)-Azetidine-2-carboxylic acid, 2-Azetidinecarboxylic acid, (S)- (9ci), AZETIDINE-2-carboxylicacid (L-), Acid, azetidine-2-carboxylic, Acid, azetidinecarboxylic, Azetidine 2 carboxylic acid, 3-Azetidinecarboxylic acid, 3 Azetidinecarboxylic acid, Azetidine 3 carboxylic acid, Azetidine-3-carboxylic acid |
| Substituent Name | Alpha-amino acid, Azetidinecarboxylic acid, Azetidine, Azacycle, Organ, Secondary amine, Monoc, Monocarboxylic acid or derivatives, Secondary aliphatic amine, Carboxylic acid, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Carbonyl group, Amine, Aliphatic heteromonocyclic compound |
| Compound Name | (+-)-2-Azetidinecarboxylic acid |
| Kingdom | Organic compounds |
| Exact Mass | 101.048 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 101.048 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 101.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7) |
| Smiles | C1CNC1C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alpha amino acids |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all