Basic information
- CAS
174894-18-9- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CSCC#N)C(=O)O- InChIKey
JHNYJFOVOSZPPP-ZETCQYMHSA-N- Molecular formula
- C10H16N2O4S
- Average molar mass
- 260.31 g/mol
Names & identifiers
- Preferred name
- (R)-2-((tert-butoxycarbonyl)amino)-3-((cyanomethyl)thio)propanoic acid
- IUPAC
- (2R)-3-(cyanomethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Names & synonyms
174894-18-9(R)-2-((tert-butoxycarbonyl)amino)-3-((cyanomethyl)thio)propanoic acidRefChem:407162819-791-6(2R)-2-([(tert-Butoxy)carbonyl]amino)-3-[(cyanomethyl)sulfanyl]propanoic acid(2R)-3-(cyanomethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[(cyanomethyl)sulfanyl]propanoic acidSCHEMBL7391396JHNYJFOVOSZPPP-ZETCQYMHSA-NN-Boc-S-(cyanomethyl)-L-cysteineG59703EN300-1692703
Show more names
(R)-2-((tert-butoxycarbonyl)amino)-3-((cyanomethyl)thio)propanoicacid
Database identifiers
- CAS
174894-18-9- PubChem CID
- 22874698
- EC Number
- 819-791-6
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 329
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)
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
4 records
Compound notes
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