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Structure

all-Cis-2-tert-butoxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester

CAS
959745-75-6
Catalog Number
ACM959745756
Category
Other Products
Molecular Weight
271.30954
Molecular Formula
C13H21NO5

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Specification

Synonyms
ALL-CIS-2-TERT-BUTOXYCARBONYLAMINO-6-OXA-BICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID ETHYL ESTER
What is the molecular formula of the compound mentioned in the reference?

The molecular formula is C13H21NO5.

What is the molecular weight of the compound?

The molecular weight is 271.31 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is ethyl (1R,2R,3R,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxabicyclo[3.1.0]hexane-3-carboxylate.

What is the InChI of the compound?

The InChI is InChI=1S/C13H21NO5/c1-5-17-11(15)7-6-8-10(18-8)9(7)14-12(16)19-13(2,3)4/h7-10H,5-6H2,1-4H3,(H,14,16)/t7-,8+,9-,10+/m1/s1.

What is the InChIKey of the compound?

The InChIKey is BVJJICVWJDHURF-RGOKHQFPSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CCOC(=O)C1CC2C(C1NC(=O)OC(C)(C)C)O2.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the hydrogen bond acceptor count of the compound?

The compound has 5 hydrogen bond acceptor counts.

What is the rotatable bond count of the compound?

The compound has 6 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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