(2S,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
Basic information
- CAS
66267-44-5- Standard SMILES
CC(=O)N1C[C@@H](O)C[C@H]1C(=O)O- InChIKey
BAPRUDZDYCKSOQ-WDSKDSINSA-N- Molecular formula
- C7H11NO4
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.06880783
Names & identifiers
- Preferred name
- (2S,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
- English name
- L-Proline, 1-acetyl-4-hydroxy-, cis- (9CI)
- Molecular formula
- C7H11NO4
- Molecular weight
- 173.17
Names & synonyms
(2S,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acidRefChem:398987893-463-066267-44-5L-Proline, 1-acetyl-4-hydroxy-, cis-SCHEMBL25978DTXSID30352887BAPRUDZDYCKSOQ-WDSKDSINSA-NN-acetyl cis-4-hydroxy-l-prolineMFCD20103007(4S)-1-Acetyl-4-hydroxy-L-prolineAKOS014041139
Show more names
N-acetyl-cis-4-hydroxy-L-prolineL-Proline, 1-acetyl-4-hydroxy-, (4S)-L-Proline, 1-acetyl-4-hydroxy-, cis- (9CI)
SY518287NS00006221EN300-209801(2S,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylicacid(2S,4S)-1-acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid
Database identifiers
- CAS
66267-44-5- PubChem CID
- 735936
- DTXSID
DTXSID30352887- EC Number
- 893-463-0
- Nikkaji
- J191.781A
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Comptox DTXSID
- 30352887 · DTXSID30352887
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933990099 · 2933990099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933990099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…