Basic information
- CAS
93583-03-0- Standard SMILES
O=C(O)CNC(=O)c1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)cc1- InChIKey
UOHAEQRXRGSZGI-UHFFFAOYSA-N- Molecular formula
- C15H17N3O8
- Average molar mass
- 367.31 g/mol
- Monoisotopic mass
- 367.10156451
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-((Bis(carboxymethyl)aminomethyl)carbamino)hippuric acid
- IUPAC
- 2-[[4-[[2-[bis(carboxymethyl)amino]acetyl]amino]benzoyl]amino]acetic acid
- English name
- 4-((bis(carboxymethyl)aminomethyl)carbamino)hippuric acid
- Molecular formula
- C15H17N3O8
- Molecular weight
- 367.31078
Names & synonyms
Pahida4-((Bis(carboxymethyl)aminomethyl)carbamino)hippuric acid93583-03-0DTXSID20239471Glycine, N-(carboxymethyl)-N-(2-((4-(((carboxymethyl)amino)carbonyl)phenyl)amino)-2-oxoethyl)-, (3alpha,5beta,7alpha,12alpha,24xi)-RefChem:96880DTXCID401619622-[[4-[[2-[bis(carboxymethyl)amino]acetyl]amino]benzoyl]amino]acetic acidN-(4-{2-[Bis(carboxymethyl)amino]acetamido}benzoyl)glycine
Database identifiers
- CAS
93583-03-0- PubChem CID
- 196312
- DTXSID
DTXSID20239471
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…