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.