Cas no 1049980-13-3 ((3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylicacid)
1049980-13-3 structure
Product Name:(3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylicacid
CAS No:1049980-13-3
MF:C13H17NO4
MW:251.278383970261
CID:69762
PubChem ID:2762192
Update Time:2025-04-18
(3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylicacid Chemical and Physical Properties
Names and Identifiers
-
- (3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylic acid
- DTXSID20376092
- AC-22412
- 1049980-13-3
- A1964
- AKOS025401586
- EN300-1454444
- rac-(3R,4S)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
- SCHEMBL1817783
- (3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylicacid
-
- Inchi： 1S/C13H17NO4/c1-17-9-3-8(4-10(5-9)18-2)11-6-14-7-12(11)13(15)16/h3-5,11-12,14H,6-7H2,1-2H3,(H,15,16)/t11-,12+/m0/s1
- InChI Key： FBFGHGLKHHVFCD-NWDGAFQWSA-N
- SMILES： OC([C@@H]1CNC[C@H]1C1C=C(C=C(C=1)OC)OC)=O
Computed Properties
- Exact Mass: 251.11581
- Monoisotopic Mass: 251.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 285
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 67.8A^2
- XLogP3: -1.5
Experimental Properties
- PSA: 67.79
- LogP: 1.42020
(3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylicacid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | S266440-50mg |
(3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylicacid |
1049980-13-3 | 50mg |
$ 205.00 | 2022-06-03 | ||
| TRC | S266440-100mg |
(3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylicacid |
1049980-13-3 | 100mg |
$ 330.00 | 2022-06-03 | ||
| TRC | S266440-250mg |
(3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylicacid |
1049980-13-3 | 250mg |
$ 655.00 | 2022-06-03 | ||
| Enamine | EN300-1454444-0.05g |
rac-(3R,4S)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid |
1049980-13-3 | 0.05g |
$744.0 | 2023-06-06 | ||
| Enamine | EN300-1454444-0.1g |
rac-(3R,4S)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid |
1049980-13-3 | 0.1g |
$779.0 | 2023-06-06 | ||
| Enamine | EN300-1454444-0.25g |
rac-(3R,4S)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid |
1049980-13-3 | 0.25g |
$814.0 | 2023-06-06 | ||
| Enamine | EN300-1454444-0.5g |
rac-(3R,4S)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid |
1049980-13-3 | 0.5g |
$849.0 | 2023-06-06 | ||
| Enamine | EN300-1454444-1.0g |
rac-(3R,4S)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid |
1049980-13-3 | 1g |
$884.0 | 2023-06-06 | ||
| Enamine | EN300-1454444-2.5g |
rac-(3R,4S)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid |
1049980-13-3 | 2.5g |
$1735.0 | 2023-06-06 | ||
| Enamine | EN300-1454444-5.0g |
rac-(3R,4S)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid |
1049980-13-3 | 5g |
$2566.0 | 2023-06-06 |
(3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylicacid Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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