Diethyl N-(4-aminobenzoyl)-L-glutamate

HCID 73002CAS 13726-52-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CC[C@H](NC(=O)c1ccc(N)cc1)C(=O)OCC
InChIKey
RJXFBLRRPYBPTM-ZDUSSCGKSA-N
Molecular formula
C16H22N2O5
Average molar mass
322.36 g/mol
Monoisotopic mass
322.1528718

Names & identifiers

Preferred name
Diethyl N-(4-aminobenzoyl)-L-glutamate
IUPAC
diethyl (2S)-2-[(4-aminobenzoyl)amino]pentanedioate
English name
N-(4-Aminobenzoyl)-L-glutamic acid diethyl ester
Molecular formula
C16H22N2O5
Molecular weight
322.36

Names & synonyms

13726-52-8N-(4-Aminobenzoyl)-L-glutamic acid diethyl esterDiethyl N-(4-aminobenzoyl)-L-glutamateL-Glutamic acid, N-(4-aminobenzoyl)-, 1,5-diethyl esterdiethyl (2S)-2-[(4-aminobenzoyl)amino]pentanedioate(S)-Diethyl 2-(4-aminobenzamido)pentanedioateEINECS 237-293-11,5-diethyl (2S)-2-[(4-aminophenyl)formamido]pentanedioateMFCD00009617NSC 82885diethyl (4-aminobenzoyl)-L-glutamateDTXSID70160125
Show more names
DIETHYL P-AMINOBENZOYL-L-GLUTAMATEdiethyl N-(p-aminobenzoyl)-glutamateDiethyl 2-(4-aMinobenzaMido)pentanedioateN-(4-Aminobenzoyl)-L-glutamic acid diethyl este
L-Glutamic acid, N-(4-aminobenzoyl)-, diethyl esterAKOS015838775CS-0201742Diethyl N-(p-aminobenzoyl)-L-glutamateNSC-828854-Abz-Glu(OEt)-OEt7GFA757DBJN-(p-Aminobenzoyl)-L-glutamic acid diethyl ester

Database identifiers

CAS
13726-52-8
PubChem CID
73002
DTXSID
DTXSID70160125
ChEMBL
CHEMBL3278335
UNII
7GFA757DBJ
EC Number
237-293-1
Nikkaji
J236.378J

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
23

Physicochemical properties

Melting point
139 · 139-142 °C(lit.)
Boiling point
460.98 °C · 460.98°C (rough estimate)
Density
1.1446 · 1.1446 (rough estimate)
refractive index
1.58 · 1.5800 (estimate)
pka
13.87 · 13.87±0.46(Predicted)
CAS DataBase Reference
13726 · 13726-52-8(CAS DataBase Reference)

Safety & regulation

Safety data

wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

UsesN-(4-Aminobenzoyl)-L-glutamic Acid Diethyl Ester is a glutamic acid derivative[1].

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

18 records
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Linked notes

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