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Structure

(2S,4R)-4-Boc-amino pyrrolidine-2-carboxylic acid methylester-hcl

CAS
913742-54-8
Catalog Number
ACM913742548
Category
Other Products
Molecular Weight
280.754
Molecular Formula
C11H21ClN2O4

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Specification

Synonyms
913742-54-8, (2S,4R)-4-Boc-amino pyrrolidine-2-carboxylic acid methylester-HCl, A843819, methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylate hydrochloride, 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pyrrolidinecarboxylic acid methyl ester hydrochloride
IUPAC Name
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylate;hydrochloride
InChI Key
KJYYJRIAHJXTNC-UHFFFAOYSA-N
Exact Mass
280.11900
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of the compound CID 44828642?

The molecular formula is C11H21ClN2O4.

What are the synonyms of the compound CID 44828642?

Some synonyms include Methyl (2S,4R)-4-Boc-aminopyrrolidine-2-carboxylate hydrochloride and (2S,4R)-4-Boc-amino pyrrolidine-2-carboxylic acid methylester-HCl.

What is the molecular weight of the compound CID 44828642?

The molecular weight is 280.75 g/mol.

What is the IUPAC Name of the compound CID 44828642?

The IUPAC Name is methyl (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylate;hydrochloride.

What is the Canonical SMILES of the compound CID 44828642?

The Canonical SMILES is CC(C)(C)OC(=O)NC1CC(NC1)C(=O)OC.Cl.

What is the InChIKey of the compound CID 44828642?

The InChIKey is KJYYJRIAHJXTNC-WLYNEOFISA-N.

How many hydrogen bond donor counts are there in the compound CID 44828642?

There are 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in the compound CID 44828642?

There are 5 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound CID 44828642?

The topological polar surface area is 76.7 Ų.

Is the compound CID 44828642 canonicalized?

Yes, the compound is canonicalized.

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