dimethyl N-(4-aminobenzoyl)-L-glutamate
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Basic information
- CAS
52407-60-0- Standard SMILES
COC(=O)CC[C@H](NC(=O)c1ccc(N)cc1)C(=O)OC- InChIKey
KTNFJPQFZZYFPU-NSHDSACASA-N- Molecular formula
- C14H18N2O5
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.12157168
Names & identifiers
- Preferred name
- dimethyl N-(4-aminobenzoyl)-L-glutamate
- IUPAC
- dimethyl (2S)-2-[(4-aminobenzoyl)amino]pentanedioate
- English name
- N-(p-AMinobenzoyl)-L-glutaMic Acid DiMethyl Ester
- Molecular formula
- C14H18N2O5
- Molecular weight
- 294.3
Names & synonyms
52407-60-0dimethyl N-(4-aminobenzoyl)-L-glutamateN-(p-Aminobenzoyl)-L-glutamic Acid Dimethyl EsterDimethyl (4-aminobenzoyl)-L-glutamatedimethyl (2S)-2-[(4-aminobenzoyl)amino]pentanedioateL-Glutamic acid, N-(4-aminobenzoyl)-, dimethyl esterSCHEMBL9483698DTXSID70499503KTNFJPQFZZYFPU-NSHDSACASA-NAKOS030240683DB-3087211,5-dimethyl (2S)-2-[(4-aminophenyl)formamido]pentanedioate
Show more names
L-Glutamic acid, N-(4-aminobenzoyl)-, 1,5-dimethyl ester
Database identifiers
- CAS
52407-60-0- PubChem CID
- 12469743
- DTXSID
DTXSID70499503
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 505.6 · 505.6±50.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- solubility
- DMSO. Methanol
- form
- Solid
- pka
- 13.66 · 13.66±0.46(Predicted)
- color
- Light Brown
Chemistry & industry
Applications
UsesN-(p-Aminobenzoyl)-L-glutamic Acid Dimethyl Ester is an intermediate in the synthesis of Folic Acid (F680300), an vitamin needed to synthesize DNA, conduct DNA repair and methylate DNA by acting as a cofactor in biological reactions involving folate.
Related reactions
3 records
Compound notes
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