2-[(4-Iodobenzoyl)amino]pentanedioic acid
Basic information
- CAS
104252-71-3- Standard SMILES
O=C(O)CCC(NC(=O)c1ccc(I)cc1)C(=O)O- InChIKey
PQOYLAVKDNWUOQ-UHFFFAOYSA-N- Molecular formula
- C12H12INO5
- Average molar mass
- 377.13 g/mol
- Monoisotopic mass
- 376.97602
Names & identifiers
- Preferred name
- 2-[(4-Iodobenzoyl)amino]pentanedioic acid
- IUPAC
- 2-[(4-iodobenzoyl)amino]pentanedioic acid
- English name
- 2-(4-IODO-BENZOYLAMINO)-PENTANEDIOIC ACID
- Molecular formula
- C12H12INO5
- Molecular weight
- 377.13
Names & synonyms
104252-71-32-(4-Iodo-benzoylamino)-pentanedioic acidp-Iodobenzoylglutamic acidN-(p-Iodobenzoyl)glutamic acidNIOSH/MA1290000Glutamic acid, N-(p-iodobenzoyl)-N-(4-Iodobenzoyl)glutamic acidN-[(4-iodophenyl)carbonyl]glutamic acidMA129000002-[(4-iodobenzoyl)amino]pentanedioic acidCBMicro_022377CBKinase1_000157
Show more names
Glutamic acid, N-(4-iodobenzoyl)-
CBKinase1_012557Cambridge id 5192853CBDivE_004154SCHEMBL11441221DTXSID70385351STL3227822-(4-iodobenzamido)pentanedioic acidAKOS000659771
Database identifiers
- CAS
104252-71-3- PubChem CID
- 2832897
- DTXSID
DTXSID70385351
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 583.3 · 583.3±50.0 °C(Predicted)
- Density
- 1.817 · 1.817±0.06 g/cm3(Predicted)
- pka
- 3.37 · 3.37±0.10(Predicted)
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Compound notes
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