(2S,4S)-1-Tert-butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
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Basic information
- CAS
121148-01-4- Standard SMILES
COC(=O)[C@@H]1C[C@H](N)CN1C(=O)OC(C)(C)C- InChIKey
IOLQYMRFIIVPMQ-YUMQZZPRSA-N- Molecular formula
- C11H20N2O4
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.14230712
Names & identifiers
- Preferred name
- (2S,4S)-1-Tert-butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-methyl (2S,4S)-4-aminopyrrolidine-1,2-dicarboxylate
- English name
- (2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
- Molecular formula
- C11H20N2O4
- Molecular weight
- 244.29
Names & synonyms
121148-01-4(2S,4S)-1-TERT-BUTYL 2-METHYL 4-AMINOPYRROLIDINE-1,2-DICARBOXYLATE1-tert-butyl 2-methyl (2S,4S)-4-aminopyrrolidine-1,2-dicarboxylateMethyl (2S,4S)-1-Boc-4-aminopyrrolidine-2-carboxylateMFCD01861781N-BOC-CIS-4-AMINO-L-PROLINE METHYL ESTER1-O-tert-butyl 2-O-methyl (2S,4S)-4-aminopyrrolidine-1,2-dicarboxylateMethyl (2S4S)-1-Boc-4-aminopyrrolidine-2-carboxylateMethyl 1-BOC-(2S,4S)-4-Aminopyrrolidine-2-carboxylate Hydrochloride1-(tert-butyl) 2-methyl (2S,4S)-4-aminopyrrolidine-1,2-dicarboxylate(2S,4S)-N-Boc-4-Amino-L-proline methyl esterSCHEMBL489156
Show more names
Albb-006913(2S,4S)-4-Aminopyrrolidine-1-tert-butyl 2-N-Boc-cis-4-amino-L-proline methyl ester HClcis-4-Amino-1-Boc-2-pyrrolidinecarboxylic acid methyl esterMethyl (2S,4S)-1-Boc-4-aminopyrrolidine-2-carboxylate, ≥95%cis-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
DTXSID60409459IOLQYMRFIIVPMQ-YUMQZZPRSA-NMFCD06809666AKOS005258638AKOS005264645CS-W002842AS-36752SY015742
Database identifiers
- CAS
121148-01-4- PubChem CID
- 5200425
- DTXSID
DTXSID60409459- Nikkaji
- J2.355.685E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 321 °C · 321 °C
- Density
- 1.151 · 1.151
- Flash point
- 148 °C · 148 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- Solid
- pka
- 9.05 · 9.05±0.40(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Suppliers
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Related reactions
12 records
Compound notes
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