Basic information
- CAS
2170869-18-6- Standard SMILES
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](C(=O)O)C1- InChIKey
CEWHNBGJGPXFED-RNFRBKRXSA-N- Molecular formula
- C11H17NO6
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.10558726
Names & identifiers
- Preferred name
- (3S,4S)-1-((tert-Butoxy)carbonyl)pyrrolidine-3,4-dicarboxylic acid
- IUPAC
- (3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3,4-dicarboxylic acid
- English name
- (3S,4S)-1-Boc-pyrrolidine-3,4-dicarboxylic Acid
- Molecular formula
- C11H17NO6
- Molecular weight
- 259.26
Names & synonyms
2170869-18-6BAY4TY34PAUNII-BAY4TY34PA(3S,4S)-1-((tert-Butoxy)carbonyl)pyrrolidine-3,4-dicarboxylic acid1,3,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) ester, (3S,4S)-RefChem:196489(3S,4S)-1-Boc-pyrrolidine-3,4-dicarboxylic Acid(3S,4S)-1-tert-butoxycarbonylpyrrolidine-3,4-dicarboxylic acid(3S,4S)-1-(tert-Butoxycarbonyl)pyrrolidine-3,4-dicarboxylic acidMFCD31699921SCHEMBL6065186PS-18251
Show more names
rac trans-N-Boc-pyrrolidine-3,4-dicarboxylic acidMFCD15111972A925061YQF4807AC5603AKOS037630964SY238097(3S,4S)-N-Boc-pyrrolidine-3,4-dicarboxylic acid
Database identifiers
- CAS
2170869-18-6- PubChem CID
- 69651971
- UNII
- BAY4TY34PA
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 452.1 · 452.1±45.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- 3.77 · 3.77±0.40(Predicted)
- FDA UNII
- 4 TY34PA · BAY4TY34PA
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
2 records
Compound notes
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