1-{[(Tert-butoxy)carbonyl]amino}pyrrolidine-2-carboxylic acid
Basic information
- CAS
1824207-89-7- Standard SMILES
CC(C)(C)OC(=O)NN1CCCC1C(=O)O- InChIKey
PBLCAESKICYLIR-UHFFFAOYSA-N- Molecular formula
- C10H18N2O4
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.12665706
Names & identifiers
- Preferred name
- 1-{[(Tert-butoxy)carbonyl]amino}pyrrolidine-2-carboxylic acid
- IUPAC
- 1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
Names & synonyms
1824207-89-71-{[(tert-butoxy)carbonyl]amino}pyrrolidine-2-carboxylic acid1-(((tert-butoxy)carbonyl)amino)pyrrolidine-2-carboxylic acidRefChem:418140989-486-1SCHEMBL30388232CDA82122EN300-108317831-(tert-butoxycarbonylamino)pyrrolidine-2-carboxylic acid
Database identifiers
- CAS
1824207-89-7- PubChem CID
- 19959617
- EC Number
- 989-486-1
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
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Compound notes
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