CAS 259214-55-6

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Chemistry
1 End Use API

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Also known as: 259214-55-6, Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1s,2r)-, (1s,2r)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid, (1s,2r)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic acid, Cyclopropanecarboxylic acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,(1s,2r)-, Schembl2617514

Molecular Formula

C₁₁H₁₇NO₄

Molecular Weight

227.26 g/mol

InChI Key

RFAQWADNTLIWMG-CPCISQLKSA-N

1 2D Structure

CAS 259214-55-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,2R)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

2.1.2 InChI

InChI=1S/C11H17NO4/c1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,12,15)(H,13,14)/t7-,11-/m0/s1

2.1.3 InChI Key

RFAQWADNTLIWMG-CPCISQLKSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1(CC1C=C)C(=O)O

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@]1(C[C@@H]1C=C)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 259214-55-6

2. Cyclopropanecarboxylic Acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1s,2r)-

3. (1s,2r)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic Acid

4. (1s,2r)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic Acid

5. Cyclopropanecarboxylic Acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,(1s,2r)-

6. Schembl2617514

7. Dtxsid00463398

8. Amy40325

9. Cs-b0184

10. Mfcd06795884

11. Zinc44857530

12. (1s,2r)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylicacid

13. Akos016843104

14. (1s,2r)-1-((t-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic Acid

15. (1s,2r)-1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylic Acid

16. (1s,2r)-1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylic Acid, Aldrichcpr

17. (1s,2r)-1-[(tert-butoxycarbonyl)amino]-2-ethenylcyclopropane-1-carboxylic Acid

18. Cyclopropanecarboxylic Acid,1-((1,1-dimethylethoxy)carbonylamino)-2-ethenyl-,(1s,2r)-

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₇NO₄
Molecular Weight	227.26 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	227.11575802 g/mol
Monoisotopic Mass	227.11575802 g/mol
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	331
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

CAS-259214-55-6

Intermediate Name

(1S,2R)-1-(Tert-Butoxycarbonylamino...

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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