Basic information
- CAS
299417-25-7- Standard SMILES
O=C(O)CCN(CCC(=O)O)c1nnc(-c2ccccc2)o1- InChIKey
YDIASNANHWGSDL-UHFFFAOYSA-N- Molecular formula
- C14H15N3O5
- Average molar mass
- 305.29 g/mol
- Monoisotopic mass
- 305.10117058
Names & identifiers
- Preferred name
- N-(2-Carboxyethyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-beta-alanine
- IUPAC
- 3-[2-carboxyethyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propanoic acid
Names & synonyms
299417-25-7N-(2-Carboxyethyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-beta-alanineRefChem:3605503-[2-carboxyethyl-(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propanoic AcidDTXSID301178956CCG-15317MFCD004081923-[(2-carboxyethyl)(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propanoic acidAKOS001482632SR-01000078265SR-01000078265-13,3'-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]dipropanoic acid
Show more names
3,3'-[(5-Phenyl-1,3,4-oxadiazol-2-yl)azanediyl]dipropanoic acidN-(2-Carboxyethyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-I(2)-alanine3,3'-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]dipropanoic acid (non-preferred name)
Database identifiers
- CAS
299417-25-7- PubChem CID
- 5116441
- DTXSID
DTXSID301178956
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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