Cas no 77449-99-1 ((2R,4R)-2-ethoxycarbonyl-4-hydroxypyrrolidine hydrochloride)
77449-99-1 structure
Product Name:(2R,4R)-2-ethoxycarbonyl-4-hydroxypyrrolidine hydrochloride
CAS No:77449-99-1
MF:C7H14ClNO3
MW:195.643961429596
CID:3042369
PubChem ID:12709308
Update Time:2025-04-21
(2R,4R)-2-ethoxycarbonyl-4-hydroxypyrrolidine hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- (2R,4R)-2-ethoxycarbonyl-4-hydroxypyrrolidine hydrochloride
- allo-4-hydroxy-D-proline ethyl ester hydrochloride;(2R,4R)-2-(ethoxycarbonyl)-4-hydroxypyrrolidinium chloride;(2R,4R)-4-hydroxyproline ethyl ester hydrochloride;allo-4-cis-Hydroxy-D-proline Ethyl Ester Hydrochloride;cis-4-hydroxy-D-proline ethyl ester hydrochloride;ethyl (2R,4R)-4-hydroxyprolinate hydrochloride;
- 77449-99-1
- (2R,4R)-(+)-2-(ethoxycarbonyl)-4-hydroxypyrrolidine hydrochloride
- D-Proline, 4-hydroxy-, ethyl ester, hydrochloride, (4R)-
- SCHEMBL7312757
- Ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride
- ethyl (2R,4R)-4-hydroxy-2-pyrrolidinecarboxylate hydrochloride
- HHXSZDXMSRXWJV-KGZKBUQUSA-N
- (2R, 4R)-(+)-2-(ethoxycarbonyl)-4-hydroxypyrrolidine hydrochloride
-
- Inchi： 1S/C7H13NO3.ClH/c1-2-11-7(10)6-3-5(9)4-8-6;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6-;/m1./s1
- InChI Key： HHXSZDXMSRXWJV-KGZKBUQUSA-N
- SMILES： Cl.O[C@H]1CN[C@@H](C(=O)OCC)C1
Computed Properties
- Exact Mass: 195.06600
- Monoisotopic Mass: 195.0662210Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 149
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 58.6?2
Experimental Properties
- PSA: 58.56000
- LogP: 0.40310
(2R,4R)-2-ethoxycarbonyl-4-hydroxypyrrolidine hydrochloride Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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