Basic information
- CAS
955138-41-7- Standard SMILES
COC(=O)C1CNCC1NC(=O)OC(C)(C)C- InChIKey
QAQRONFFJSUYPZ-UHFFFAOYSA-N- Molecular formula
- C11H20N2O4
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.14230712
Names & identifiers
- Preferred name
- trans-Methyl 4-N-Boc-amino-pyrrolidine-3-carboxylate
- IUPAC
- methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
- English name
- 4-tert-Butoxycarbonylamino-pyrrolidine-3-carboxylic acid methyl ester
- Molecular formula
- C11H20N2O4
- Molecular weight
- 244.29
Names & synonyms
955138-41-7trans-Methyl 4-N-Boc-amino-pyrrolidine-3-carboxylate1260764-71-3methyl 4-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylatemethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylateMethyl 4-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylateMethyl 4-[(tert-butoxycarbonyl)amino]pyrrolidine-3-carboxylatecis-Methyl 4-N-Boc-amino-pyrrolidine-3-carboxylate hydrochlorideSCHEMBL4662847DTXSID70695381methyl 4-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylate4-TERT-BUTOXYCARBONYLAMINO-PYRROLIDINE-3-CARBOXYLIC ACID METHYL ESTER
Show more names
trans-Methyl-4-N-Boc-amino-pyrrolidine-3- carboxylate(racemic)rel-Methyl 4-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylatetrans-Methyl-4-N-Boc-amino-pyrrolidine-3- carboxylate hydrochloridetrans-methyl -4-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylate(3R,4S)-methyl 4-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylate(trans)-methyl 4-(tert-butoxycarbonylcarbamoyl)pyrrolidine-3-carboxylate
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 347.039 · 347.039±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.134 · 1.134±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.663 · 11.663±0.40(predicted)
Chemistry & industry
Suppliers12 total
郑州药领医药科技有限公司13526569071 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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