N-Benzoyl-L-aspartic acid

HCID 205448
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Basic information

CAS
17966-68-6
Standard SMILES
O=C(O)C[C@H](NC(=O)c1ccccc1)C(=O)O
InChIKey
DJLTZJGULPLVOA-QMMMGPOBSA-N
Molecular formula
C11H11NO5
Average molar mass
237.21 g/mol
Monoisotopic mass
237.06372245

Names & identifiers

Preferred name
N-Benzoyl-L-aspartic acid
IUPAC
(2S)-2-benzamidobutanedioic acid

Names & synonyms

N-benzoyl-L-aspartic acid4631-12-3RefChem:1091551N-BENZOYL-ASPARTIC ACIDN-Benzoyl-DL-aspartic acid(2S)-2-benzamidobutanedioic acidbenzoyl-L-aspartic acidBz-Asp-OHMFCD01664832Benzoyl-DL-aspartic acidL-N-Benzoylaspartic acidDL-Aspartic acid, N-benzoyl-
Show more names
L-Aspartic acid, N-benzoyl-Benzoylasparaginsaurestarbld0048199(2S)-2-(PHENYLFORMAMIDO)BUTANEDIOIC ACIDSCHEMBL697053orb1985885CHEMBL3885313DTXSID10939251

Database identifiers

CAS
17966-68-6、4631-12-3、4915-59-7
PubChem CID
205448
DTXSID
DTXSID10939251
ChEMBL
CHEMBL3885313
EC Number
688-923-0
Nikkaji
J438.129G

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
104 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
17

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

2 records
New reaction record

Compound notes

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