beta-Alanine, N-carboxymethyl-N-nitro-
Basic information
- CAS
10526-60-0- Standard SMILES
O=C(O)CCN(CC(=O)O)[N+](=O)[O-]- InChIKey
ZUXOPMBZRULHMW-UHFFFAOYSA-N- Molecular formula
- C5H8N2O6
- Average molar mass
- 192.13 g/mol
- Monoisotopic mass
- 192.03823598
Names & identifiers
- Preferred name
- beta-Alanine, N-carboxymethyl-N-nitro-
- IUPAC
- 3-[carboxymethyl(nitro)amino]propanoic acid
Names & synonyms
beta-ALANINE, N-CARBOXYMETHYL-N-NITRO-BRN 2269301N-Carboxymethyl-N-nitro-beta-alanine10526-60-0DTXSID10147036RefChem:328939DTXCID20695273-[(carboxymethyl)(nitro)amino]propanoic acid
Database identifiers
- CAS
10526-60-0- PubChem CID
- 25336
- DTXSID
DTXSID10147036- Nikkaji
- J74.971K
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…