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Structure

N-Boc-cis-3,4-methylene D-proline

CAS
937244-10-5
Catalog Number
ACM937244105
Category
Other Products
Molecular Weight
227.26
Molecular Formula
C11H17NO4

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Specification

Synonyms
(1S,2R,5R)-3-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic Acid 3-(1,1-Dimethylethyl) Ester;
IUPAC Name
(1S,2R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Canonical SMILES
CC(C)(C)OC(=O)N1CC2CC2C1C(=O)O
InChI Key
RTWMQNSZCUYSJJ-BIIVOSGPSA-N
Exact Mass
227.11600
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of N-Boc-cis-3,4-methylene D-proline?

The molecular formula of N-Boc-cis-3,4-methylene D-proline is C11H17NO4.

What is the molecular weight of N-Boc-cis-3,4-methylene D-proline?

The molecular weight of N-Boc-cis-3,4-methylene D-proline is 227.26 g/mol.

What is the IUPAC name of N-Boc-cis-3,4-methylene D-proline?

The IUPAC name of N-Boc-cis-3,4-methylene D-proline is (1S,2R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.

What is the InChI of N-Boc-cis-3,4-methylene D-proline?

The InChI of N-Boc-cis-3,4-methylene D-proline is InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-6-4-7(6)8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+/m0/s1.

What is the InChIKey of N-Boc-cis-3,4-methylene D-proline?

The InChIKey of N-Boc-cis-3,4-methylene D-proline is RTWMQNSZCUYSJJ-BIIVOSGPSA-N.

What is the Canonical SMILES of N-Boc-cis-3,4-methylene D-proline?

The Canonical SMILES of N-Boc-cis-3,4-methylene D-proline is CC(C)(C)OC(=O)N1CC2CC2C1C(=O)O.

How many hydrogen bond donor counts does N-Boc-cis-3,4-methylene D-proline have?

N-Boc-cis-3,4-methylene D-proline has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does N-Boc-cis-3,4-methylene D-proline have?

N-Boc-cis-3,4-methylene D-proline has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does N-Boc-cis-3,4-methylene D-proline have?

N-Boc-cis-3,4-methylene D-proline has 3 rotatable bond counts.

Is N-Boc-cis-3,4-methylene D-proline a canonicalized compound?

Yes, N-Boc-cis-3,4-methylene D-proline is a canonicalized compound.

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