(3Ar,6as)-1-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrol-2-ium carboxyformate

Name: (3Ar,6as)-1-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrol-2-ium carboxyformate
SKU: ACM907606682
Rating: 5 (1 reviews)

CAS

907606-68-2

Catalog Number

ACM907606682

Category

Other Products

Molecular Weight

301.335520 [g/mol]

Molecular Formula

C14H23NO6

COA MSDS SDS Spec Sheet

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Specification

Synonyms

(1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate, 907606-68-2, SureCN1569384, CTK8C5244, ANW-74900, AKOS016000239, AK-87947, KB-205428

IUPAC Name

tert-butyl (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate;oxalic acid

SMILES

CC(C)(C)OC(=O)C1C2CCCC2CN1.C(=O)(C(=O)O)O

InChI Key

ZCTXDLWZMFBZEV-PUBMXKGKSA-N

EC Number

618-641-5

Exact Mass

301.15300

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound with PubChem CID 67080120?

The molecular formula is C14H23NO6.

What are the synonyms of the compound?

The synonyms include 907606-68-2, (1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate, and tert-butyl (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate; oxalic acid.

What is the molecular weight of the compound?

The molecular weight is 301.34 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is tert-butyl (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate; oxalic acid.

What is the InChIKey of the compound?

The InChIKey is ZCTXDLWZMFBZEV-PUBMXKGKSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 3 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of the compound?

The compound has 7 hydrogen bond acceptor counts.

What is the exact mass of the compound?

The exact mass is 301.15253745 g/mol.

How many defined atom stereocenters does the compound have?

The compound has 3 defined atom stereocenters.

What is the topological polar surface area of the compound?

The topological polar surface area is 113 Å².

Upstream Synthesis Route 1

540-88-5
144-62-7

907606-68-2

Reference: [1] Patent: WO2010/8828, 2010, A2, . Location in patent: Page/Page column 96-98

Upstream Synthesis Route 2

540-88-5
1205676-44-3
144-62-7

907606-68-2

Reference: [1] Patent: US2014/94616, 2014, A1, . Location in patent: Paragraph 0155

Upstream Synthesis Route 3

1227704-10-0
144-62-7
75-65-0

907606-68-2

Reference: [1] Patent: US2007/87973, 2007, A1, . Location in patent: Page/Page column 43-44

Upstream Synthesis Route 4

1227704-10-0
144-62-7
75-65-0

907606-68-2

Reference: [1]Patent: US2007/87973,2007,A1 .Location in patent: Page/Page column 43-44

Downstream Synthesis Route 1

907606-68-2

714194-68-0

Reference: [1]Patent: US2007/87973,2007,A1 .Location in patent: Page/Page column 44; 45

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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