CAS 1273567-44-4

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Also known as: 1273567-44-4, Refchem:408040, 875-090-5, Mfcd19442252, (2s)-4-[(tert-butoxy)carbonyl]-1,4-oxazepane-2-carboxylic acid, (2s)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-2-carboxylic acid

Molecular Formula

C₁₁H₁₉NO₅

Molecular Weight

245.27 g/mol

InChI Key

YGITYLFOIAYYJU-QMMMGPOBSA-N

1 2D Structure

CAS 1273567-44-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-2-carboxylic acid

2.1.2 InChI

InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-5-4-6-16-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1

2.1.3 InChI Key

YGITYLFOIAYYJU-QMMMGPOBSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1273567-44-4

2. Refchem:408040

3. 875-090-5

4. Mfcd19442252

5. (2s)-4-[(tert-butoxy)carbonyl]-1,4-oxazepane-2-carboxylic Acid

6. (2s)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-2-carboxylic Acid

7. (s)-4-(boc)-1,4-oxazepane-2-carboxylic Acid

8. Schembl16932340

9. Ygitylfoiayyju-qmmmgpobsa-n

10. Akos027255431

11. Ds-10134

12. Sy112234

13. Cs-0038548

14. F469366

15. (2s)-4-(tert-butoxycarbonyl)-1,4-oxazepane-2-carboxylic Acid

16. (2s)-4-tert-butoxycarbonyl-1,4-oxazepane-2-carboxylic Acid

17. (s)-4-(tert-butoxycarbonyl)-1,4-oxazepane-2-carboxylicacid

2.3 Create Date

2013-05-04

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₉NO₅
Molecular Weight	245.27 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	76.1
Heavy Atom Count	17
Formal Charge	0
Complexity	297
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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