N-(p-Aminobenzoyl)-L-glutamic Acid Dimethyl Ester - CAS 52407-60-0
Catalog: |
BB075110 |
Product Name: |
N-(p-Aminobenzoyl)-L-glutamic Acid Dimethyl Ester |
CAS: |
52407-60-0 |
Synonyms: |
dimethyl N-(4-aminobenzoyl)-L-glutamate; N-(p-Aminobenzoyl)-L-glutamic Acid Dimethyl Ester; dimethyl (2S)-2-[(4-aminobenzoyl)amino]pentanedioate; L-Glutamic acid, N-(4-aminobenzoyl)-, dimethyl ester; Dimethyl (4-aminobenzoyl)-L-glutamate |
IUPAC Name: | dimethyl (2S)-2-[(4-aminobenzoyl)amino]pentanedioate |
Molecular Weight: | 294.3 |
Molecular Formula: | C14H18N2O5 |
Canonical SMILES: | COC(=O)CCC(C(=O)OC)NC(=O)C1=CC=C(C=C1)N |
InChI: | InChI=1S/C14H18N2O5/c1-20-12(17)8-7-11(14(19)21-2)16-13(18)9-3-5-10(15)6-4-9/h3-6,11H,7-8,15H2,1-2H3,(H,16,18)/t11-/m0/s1 |
InChI Key: | KTNFJPQFZZYFPU-NSHDSACASA-N |
Solubility: | DMSO. Methanol |
Appearance: | Light Brown Solid |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.12157168 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.12157168 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 108Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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