Basic information
- CAS
69636-39-1- Standard SMILES
O=C(O)CN(CC(=O)O)Cc1cc(=O)[nH]c(=O)[nH]1- InChIKey
RZFIXXHNWVCOFL-UHFFFAOYSA-N- Molecular formula
- C9H11N3O6
- Average molar mass
- 257.2 g/mol
- Monoisotopic mass
- 257.06478508
Names & identifiers
- Preferred name
- 2-[carboxymethyl-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]amino]acetic acid
- IUPAC
- 2-[carboxymethyl-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]amino]acetic acid
Names & synonyms
NSC29549569636-39-1DTXSID60315581NSC-2954952,2'-{[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]azanediyl}diacetic acid
Database identifiers
- CAS
69636-39-1- PubChem CID
- 325906
- DTXSID
DTXSID60315581
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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