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Structure

All-cis-2-benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester

CAS
959745-76-7
Catalog Number
ACM959745767
Category
Other Products
Molecular Weight
305.32576
Molecular Formula
C16H19NO5

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Specification

Synonyms
ALL-CIS-2-BENZYLOXYCARBONYLAMINO-6-OXA-BICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID ETHYL ESTER
What is the molecular formula of all-cis-2-benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester?

The molecular formula is C16H19NO5.

When was all-cis-2-benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester created and modified in PubChem?

It was created on November 13, 2007, and last modified on December 30, 2023.

What is the IUPAC name of all-cis-2-benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester?

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

What is the InChI code of all-cis-2-benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester?

The InChI code is InChI=1S/C16H19NO5/c1-2-20-15(18)11-8-12-14(22-12)13(11)17-16(19)21-9-10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3,(H,17,19)/t11-,12+,13-,14+/m1/s1.

What is the Canonical SMILES representation of all-cis-2-benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester?

The Canonical SMILES is CCOC(=O)C1CC2C(C1NC(=O)OCC3=CC=CC=C3)O2.

How many hydrogen bond donor count does all-cis-2-benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester have?

It has 1 hydrogen bond donor count.

What is the exact mass of all-cis-2-benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester?

The exact mass is 305.12632271 g/mol.

How many rotatable bond counts are there in all-cis-2-benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester?

There are 7 rotatable bond counts.

Is all-cis-2-benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

What is the XLogP3-AA value of all-cis-2-benzyloxycarbonylamino-6-oxa-bicyclo[3.1.0]hexane-3-carboxylic acid ethyl ester?

The XLogP3-AA value is 2.2.

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